2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine

C14H30N2 — CID 123352773

IUPAC2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine
SMILESCC=CC(CC)(CN)N(CC)CCCCC
InChIInChI=1S/C14H30N2/c1-5-9-10-12-16(8-4)14(7-3,13-15)11-6-2/h6,11H,5,7-10,12-13,15H2,1-4H3
InChIKeyYJCWJJPDFZSZOK-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.18
Rot. Bonds9

About 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine

2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine (PubChem CID 123352773) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine
PubChem CID123352773
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine
SMILESCC=CC(CC)(CN)N(CC)CCCCC
InChIInChI=1S/C14H30N2/c1-5-9-10-12-16(8-4)14(7-3,13-15)11-6-2/h6,11H,5,7-10,12-13,15H2,1-4H3
InChIKeyYJCWJJPDFZSZOK-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid
CID 174803700
4-ethyl-4-methylnon-2-ene
CID 123220710
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937
4,4-dimethylnon-2-ene
CID 54495291
(E)-4-ethyl-4-methyldec-2-ene
CID 134979777
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine (CID 123352773) is 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine is CC=CC(CC)(CN)N(CC)CCCCC.
What is the InChIKey of 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine?
The InChIKey is YJCWJJPDFZSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-9-10-12-16(8-4)14(7-3,13-15)11-6-2/h6,11H,5,7-10,12-13,15H2,1-4H3.
What are the key properties of 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine?
2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine is sourced from PubChem (CID 123352773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).