1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine

C15H34N2 — CID 123593300

IUPAC1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
SMILESCCC(CCN(CC)CC(C)CC(C)C)NC
InChIInChI=1S/C15H34N2/c1-7-15(16-6)9-10-17(8-2)12-14(5)11-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyBAXYPPQYSMKGOA-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds10

About 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine

1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine (PubChem CID 123593300) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
PubChem CID123593300
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
SMILESCCC(CCN(CC)CC(C)CC(C)C)NC
InChIInChI=1S/C15H34N2/c1-7-15(16-6)9-10-17(8-2)12-14(5)11-13(3)4/h13-16H,7-12H2,1-6H3
InChIKeyBAXYPPQYSMKGOA-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
N,5,7-trimethyloctan-3-amine
CID 123511770
1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine
CID 82923355
N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 79470505
(2S)-N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
CID 112736909
1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
CID 79086942
1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79478022
2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62039490
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine?
The IUPAC name of 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine (CID 123593300) is 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine?
The canonical SMILES for 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine is CCC(CCN(CC)CC(C)CC(C)C)NC.
What is the InChIKey of 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine?
The InChIKey is BAXYPPQYSMKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-15(16-6)9-10-17(8-2)12-14(5)11-13(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine?
1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine is sourced from PubChem (CID 123593300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).