4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine

C37H79N5O2 — CID 160771769

IUPAC4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
SMILESCC(=O)N1CCN(CC(C)(C)C)CC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCOCC1.CN(C)CC(C)(C)C
InChIInChI=1S/C11H22N2O.C10H21N.C9H19NO.C7H17N/c1-10(14)13-7-5-12(6-8-13)9-11(2,3)4;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-7(2,3)6-8(4)5/h5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;6H2,1-5H3
InChIKeyRZKJCJODCQXSQX-UHFFFAOYSA-N
MW626.07 g/mol
LogP6.67
Rot. Bonds4

About 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine

4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine (PubChem CID 160771769) has the molecular formula C37H79N5O2 and a molecular weight of 626.07 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
PubChem CID160771769
Molecular FormulaC37H79N5O2
Molecular Weight626.07 g/mol
Exact Mass625.62
IUPAC Name4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
SMILESCC(=O)N1CCN(CC(C)(C)C)CC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCOCC1.CN(C)CC(C)(C)C
InChIInChI=1S/C11H22N2O.C10H21N.C9H19NO.C7H17N/c1-10(14)13-7-5-12(6-8-13)9-11(2,3)4;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-7(2,3)6-8(4)5/h5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;6H2,1-5H3
InChIKeyRZKJCJODCQXSQX-UHFFFAOYSA-N
XLogP6.67
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.07
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine with MolForge

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Related Compounds

2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
1-[4-[4-(2-Morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 129178235
1-[4-[[1-(2-Morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 129178241
2-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 139421870
3,3-Dimethyl-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]butan-1-one
CID 140912228
3,3-Dimethyl-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-1-one
CID 140912299
1-[4-[(2R)-1-[2-[4-[(2R)-5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]piperazin-1-yl]ethanone
CID 155322705
1-(2,2-Dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane
CID 157298742
2,2-Dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane
CID 157334728
1-Morpholin-4-ylethanone;bis(1-piperidin-1-ylethanone)
CID 157357806
1-Tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperazin-2-one;4-tert-butylmorpholine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;propane
CID 157653277

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine (CID 160771769) is 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine is CC(=O)N1CCN(CC(C)(C)C)CC1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCOCC1.CN(C)CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is RZKJCJODCQXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C10H21N.C9H19NO.C7H17N/c1-10(14)13-7-5-12(6-8-13)9-11(2,3)4;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;1-7(2,3)6-8(4)5/h5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;6H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 626.07 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)morpholine;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]ethanone;1-(2,2-dimethylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 160771769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).