1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine

C15H34N2 — CID 113497196

IUPAC1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine
SMILESCCC(CC)(CC)NCCC(N)CC(C)(C)C
InChIInChI=1S/C15H34N2/c1-7-15(8-2,9-3)17-11-10-13(16)12-14(4,5)6/h13,17H,7-12,16H2,1-6H3
InChIKeyCOPXERLIPQWOKZ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.70
Rot. Bonds8

About 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine

1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine (PubChem CID 113497196) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine
PubChem CID113497196
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine
SMILESCCC(CC)(CC)NCCC(N)CC(C)(C)C
InChIInChI=1S/C15H34N2/c1-7-15(8-2,9-3)17-11-10-13(16)12-14(4,5)6/h13,17H,7-12,16H2,1-6H3
InChIKeyCOPXERLIPQWOKZ-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-3-amino-5,5-dimethylhexyl]formamide
CID 140963974
(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759
1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
CID 65041304
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
3-(chloromethyl)-N-(3-methylbutyl)pentan-3-amine
CID 65030260
N-but-3-ynyl-3-ethylpentan-3-amine
CID 65039538
3-ethyl-N'-(3-ethylpentan-3-yl)hexane-1,6-diamine
CID 65041404
1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 103568996
4,4-dimethyl-1-methylsulfanylpentan-2-amine
CID 117241768
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 115654968
1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine
CID 114396426

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine?
The IUPAC name of 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine (CID 113497196) is 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine?
The canonical SMILES for 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine is CCC(CC)(CC)NCCC(N)CC(C)(C)C.
What is the InChIKey of 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine?
The InChIKey is COPXERLIPQWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-15(8-2,9-3)17-11-10-13(16)12-14(4,5)6/h13,17H,7-12,16H2,1-6H3.
What are the key properties of 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine?
1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethylpentan-3-yl)-5,5-dimethylhexane-1,3-diamine is sourced from PubChem (CID 113497196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).