1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine

C15H34N2 — CID 115317309

IUPAC1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
SMILESCCC(C)CC(CC)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H34N2/c1-7-13(5)11-14(8-2)17(6)10-9-15(16)12(3)4/h12-15H,7-11,16H2,1-6H3
InChIKeyAVLXXLKOJDIEIT-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.51
Rot. Bonds9

About 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine (PubChem CID 115317309) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
PubChem CID115317309
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
SMILESCCC(C)CC(CC)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H34N2/c1-7-13(5)11-14(8-2)17(6)10-9-15(16)12(3)4/h12-15H,7-11,16H2,1-6H3
InChIKeyAVLXXLKOJDIEIT-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
CID 115317385
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
CID 81491323
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317299
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
CID 81490182
2-amino-4-[methyl(pentan-3-yl)amino]butanoic acid
CID 63030187
1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
N,2,6-trimethyl-N-(2-methylpropyl)octan-4-amine
CID 91187830
(2S)-4-methylhexan-2-amine
CID 141201507

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine (CID 115317309) is 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine is CCC(C)CC(CC)N(C)CCC(N)C(C)C.
What is the InChIKey of 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine?
The InChIKey is AVLXXLKOJDIEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-13(5)11-14(8-2)17(6)10-9-15(16)12(3)4/h12-15H,7-11,16H2,1-6H3.
What are the key properties of 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine is sourced from PubChem (CID 115317309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).