2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine

C13H30N2O — CID 106675545

IUPAC2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)CC(C)(C)OC
InChIInChI=1S/C13H30N2O/c1-7-11(3)15(8-2)12(10-14)9-13(4,5)16-6/h11-12H,7-10,14H2,1-6H3
InChIKeyRFYCOZNIVWUSQH-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.25
Rot. Bonds8

About 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675545) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675545
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)CC(C)(C)OC
InChIInChI=1S/C13H30N2O/c1-7-11(3)15(8-2)12(10-14)9-13(4,5)16-6/h11-12H,7-10,14H2,1-6H3
InChIKeyRFYCOZNIVWUSQH-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine with MolForge

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Related Compounds

2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-4-methylpentane-1,2-diamine
CID 106675630
2-N-butan-2-yl-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675543
2-N,2-N-diethyl-4-methoxy-4-methylpentane-1,2-diamine
CID 106675498
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
CID 43274343
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
4-amino-3-[butan-2-yl(ethyl)amino]-N-ethylbutanamide
CID 66428428
4-amino-3-[butan-2-yl(ethyl)amino]-N-propan-2-ylbutanamide
CID 66432611
2-N-(1-ethylpiperidin-4-yl)-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675628
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 106675705
4-amino-3-[butan-2-yl(ethyl)amino]-N-propylbutanamide
CID 66426959
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine (CID 106675545) is 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine is CCC(C)N(CC)C(CN)CC(C)(C)OC.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is RFYCOZNIVWUSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-11(3)15(8-2)12(10-14)9-13(4,5)16-6/h11-12H,7-10,14H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).