1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine

C15H34N2 — CID 62435358

IUPAC1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
SMILESCCNCCCC(C)N(CC)CC(CC)CC
InChIInChI=1S/C15H34N2/c1-6-15(7-2)13-17(9-4)14(5)11-10-12-16-8-3/h14-16H,6-13H2,1-5H3
InChIKeyCVFHSDKUIJIXBB-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds11

About 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine

1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine (PubChem CID 62435358) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
PubChem CID62435358
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
SMILESCCNCCCC(C)N(CC)CC(CC)CC
InChIInChI=1S/C15H34N2/c1-6-15(7-2)13-17(9-4)14(5)11-10-12-16-8-3/h14-16H,6-13H2,1-5H3
InChIKeyCVFHSDKUIJIXBB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
CID 55197020
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
N'-butan-2-yl-N'-ethyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 62559989
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
CID 64705964
N,3-diethylpentan-1-amine;ethane
CID 145372093
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine
CID 177354730
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine (CID 62435358) is 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine is CCNCCCC(C)N(CC)CC(CC)CC.
What is the InChIKey of 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine?
The InChIKey is CVFHSDKUIJIXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-15(7-2)13-17(9-4)14(5)11-10-12-16-8-3/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine?
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine is sourced from PubChem (CID 62435358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).