(Z)-1-N-butylbut-1-ene-1,2-diamine

C8H18N2 — CID 89423633

IUPAC(Z)-1-N-butylbut-1-ene-1,2-diamine
SMILESCCCCN/C=C(\N)CC
InChIInChI=1S/C8H18N2/c1-3-5-6-10-7-8(9)4-2/h7,10H,3-6,9H2,1-2H3/b8-7-
InChIKeyJMEIJGXLOQPRHZ-FPLPWBNLSA-N
MW142.25 g/mol
LogP1.59
Rot. Bonds5

About (Z)-1-N-butylbut-1-ene-1,2-diamine

(Z)-1-N-butylbut-1-ene-1,2-diamine (PubChem CID 89423633) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (Z)-1-N-butylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-butylbut-1-ene-1,2-diamine
PubChem CID89423633
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(Z)-1-N-butylbut-1-ene-1,2-diamine
SMILESCCCCN/C=C(\N)CC
InChIInChI=1S/C8H18N2/c1-3-5-6-10-7-8(9)4-2/h7,10H,3-6,9H2,1-2H3/b8-7-
InChIKeyJMEIJGXLOQPRHZ-FPLPWBNLSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
CID 155225855
N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
CID 90382326
(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
CID 155484558
N-(2-methylprop-1-enyl)dodecan-1-amine
CID 88695938
N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
(E,4S,5R)-1-N-butyl-2,4-dimethylhept-1-ene-1,5-diamine
CID 163901968
undec-3-en-3-amine
CID 151904505
diethyl 2-[(pentylamino)methylidene]propanedioate
CID 87770755
(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine
CID 145206770
acetamide;N-butylbutan-1-amine
CID 172792447
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-butylbut-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-butylbut-1-ene-1,2-diamine (CID 89423633) is (Z)-1-N-butylbut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-butylbut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-butylbut-1-ene-1,2-diamine is CCCCN/C=C(\N)CC.
What is the InChIKey of (Z)-1-N-butylbut-1-ene-1,2-diamine?
The InChIKey is JMEIJGXLOQPRHZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-5-6-10-7-8(9)4-2/h7,10H,3-6,9H2,1-2H3/b8-7-.
What are the key properties of (Z)-1-N-butylbut-1-ene-1,2-diamine?
(Z)-1-N-butylbut-1-ene-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-butylbut-1-ene-1,2-diamine is sourced from PubChem (CID 89423633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).