2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

C15H33N3O — CID 106675628

IUPAC2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCCN1CCC(N(C)C(CN)CC(C)(C)OC)CC1
InChIInChI=1S/C15H33N3O/c1-6-18-9-7-13(8-10-18)17(4)14(12-16)11-15(2,3)19-5/h13-14H,6-12,16H2,1-5H3
InChIKeyVPYMEUGAVPLRLL-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.54
Rot. Bonds7

About 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine

2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (PubChem CID 106675628) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
PubChem CID106675628
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
SMILESCCN1CCC(N(C)C(CN)CC(C)(C)OC)CC1
InChIInChI=1S/C15H33N3O/c1-6-18-9-7-13(8-10-18)17(4)14(12-16)11-15(2,3)19-5/h13-14H,6-12,16H2,1-5H3
InChIKeyVPYMEUGAVPLRLL-UHFFFAOYSA-N
XLogP1.54
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine with MolForge

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Related Compounds

2-N-(1-ethylpiperidin-4-yl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 55004116
2-N-(1-ethylpiperidin-4-yl)-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504059
2-N-cyclopentyl-2-N,4,4-trimethylpentane-1,2-diamine
CID 62951525
2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N,2-dimethylpropane-1,2-diamine
CID 62536836
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675543
2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 62436874
3-N-(1-ethylpiperidin-4-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 55004402
2-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225536
ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
CID 83040877
2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
CID 55004117
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 106675705

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine (CID 106675628) is 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is CCN1CCC(N(C)C(CN)CC(C)(C)OC)CC1.
What is the InChIKey of 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
The InChIKey is VPYMEUGAVPLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-18-9-7-13(8-10-18)17(4)14(12-16)11-15(2,3)19-5/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine?
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 106675628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).