(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine

C10H17N — CID 144693544

IUPAC(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine
SMILESC=CC(/C=C\C)=N\C(C)CC
InChIInChI=1S/C10H17N/c1-5-8-10(7-3)11-9(4)6-2/h5,7-9H,3,6H2,1-2,4H3/b8-5-,11-10+
InChIKeyGXHSFDITGJJESA-VPDIDQSWSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds4

About (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine

(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine (PubChem CID 144693544) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine
PubChem CID144693544
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine
SMILESC=CC(/C=C\C)=N\C(C)CC
InChIInChI=1S/C10H17N/c1-5-8-10(7-3)11-9(4)6-2/h5,7-9H,3,6H2,1-2,4H3/b8-5-,11-10+
InChIKeyGXHSFDITGJJESA-VPDIDQSWSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[(4Z)-hexa-1,4-dien-3-ylidene]urea
CID 123564108
N-butan-2-ylpropan-2-imine
CID 118347004
2-methyl-N-propan-2-ylhepta-2,5-dien-4-imine
CID 130433837
(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
N-butan-2-yl-3-methylhept-2-en-4-imine
CID 123836466
(5Z)-N-ethenyl-2-methylhepta-2,5-dien-4-imine
CID 143053895
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
(3E,5Z)-4-butan-2-yl-3-(1,1-difluoroethyl)hepta-1,3,5-triene;ethane
CID 145471831
2-[chloro-[[dimethylamino-[[(4Z)-6-methylhepta-1,4-dien-3-ylidene]amino]methyl]-methylamino]methyl]but-2-enal
CID 90762873
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
butan-2-ol;but-2-ene
CID 157060914

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine?
The IUPAC name of (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine (CID 144693544) is (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine is C=CC(/C=C\C)=N\C(C)CC.
What is the InChIKey of (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine?
The InChIKey is GXHSFDITGJJESA-VPDIDQSWSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8-10(7-3)11-9(4)6-2/h5,7-9H,3,6H2,1-2,4H3/b8-5-,11-10+.
What are the key properties of (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine?
(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-butan-2-ylhexa-1,4-dien-3-imine is sourced from PubChem (CID 144693544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).