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

C14H32N2 — CID 79477138

IUPAC1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
SMILESCCNC(C)CCCN(CC)CC(C)CC
InChIInChI=1S/C14H32N2/c1-6-13(4)12-16(8-3)11-9-10-14(5)15-7-2/h13-15H,6-12H2,1-5H3
InChIKeyANQDWZJSDXRRLI-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds10

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

1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine (PubChem CID 79477138) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
PubChem CID79477138
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine
SMILESCCNC(C)CCCN(CC)CC(C)CC
InChIInChI=1S/C14H32N2/c1-6-13(4)12-16(8-3)11-9-10-14(5)15-7-2/h13-15H,6-12H2,1-5H3
InChIKeyANQDWZJSDXRRLI-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-4-N-methyl-1-N-(2-methylbutyl)pentane-1,4-diamine
CID 79478022
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
CID 79482373
2-[ethyl(2-methylbutyl)amino]ethanol
CID 62105905
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol
CID 79469956

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
The IUPAC name of 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine (CID 79477138) is 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine is CCNC(C)CCCN(CC)CC(C)CC.
What is the InChIKey of 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
The InChIKey is ANQDWZJSDXRRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-13(4)12-16(8-3)11-9-10-14(5)15-7-2/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine?
1-N,4-N-diethyl-1-N-(2-methylbutyl)pentane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 10 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-1-N-(2-methylbutyl)pentane-1,4-diamine is sourced from PubChem (CID 79477138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).