(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine

C12H18BrN — CID 89045060

IUPAC(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine
SMILESC=C/C(Br)=C(\C=C/N)/C=C/CCCC
InChIInChI=1S/C12H18BrN/c1-3-5-6-7-8-11(9-10-14)12(13)4-2/h4,7-10H,2-3,5-6,14H2,1H3/b8-7+,10-9-,12-11+
InChIKeyLRTDSBOGPDNERK-LCLZNPETSA-N
MW256.19 g/mol
LogP4.04
Rot. Bonds6

About (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine

(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine (PubChem CID 89045060) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine
PubChem CID89045060
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine
SMILESC=C/C(Br)=C(\C=C/N)/C=C/CCCC
InChIInChI=1S/C12H18BrN/c1-3-5-6-7-8-11(9-10-14)12(13)4-2/h4,7-10H,2-3,5-6,14H2,1H3/b8-7+,10-9-,12-11+
InChIKeyLRTDSBOGPDNERK-LCLZNPETSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine 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

(3E)-2-bromonona-1,3-diene
CID 10512335
(Z)-dec-5-ene;hex-1-ene
CID 141304086
ethanamine;hex-1-ene;hydrochloride
CID 160582702
pentadeca-1,7,10-triene
CID 174048702
hexadeca-1,7,11-triene
CID 174048514
(4E)-octadeca-1,4-dien-3-one
CID 15922391
2-methylideneoct-3-enamide
CID 123552739
hept-2-enamide;dihydrochloride
CID 142841404
hept-1-en-1-amine
CID 73447107
(3E,5Z)-4-methoxydeca-1,3,5-triene
CID 143017983
hexadec-6-ene;hex-1-ene
CID 158850904
hept-2-enoyl fluoride
CID 162347019

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine?
The IUPAC name of (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine (CID 89045060) is (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine.
What is the SMILES notation for (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine?
The canonical SMILES for (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine is C=C/C(Br)=C(\C=C/N)/C=C/CCCC.
What is the InChIKey of (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine?
The InChIKey is LRTDSBOGPDNERK-LCLZNPETSA-N. The full InChI is InChI=1S/C12H18BrN/c1-3-5-6-7-8-11(9-10-14)12(13)4-2/h4,7-10H,2-3,5-6,14H2,1H3/b8-7+,10-9-,12-11+.
What are the key properties of (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine?
(1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine has a molecular weight of 256.19 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4E)-3-(1-bromoprop-2-enylidene)nona-1,4-dien-1-amine is sourced from PubChem (CID 89045060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).