N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine

C10H16ClN — CID 139724286

IUPACN-chloro-4-prop-2-enylhepta-1,6-dien-4-amine
SMILESC=CCC(CC=C)(CC=C)NCl
InChIInChI=1S/C10H16ClN/c1-4-7-10(12-11,8-5-2)9-6-3/h4-6,12H,1-3,7-9H2
InChIKeyJULSZZYSGSNINZ-UHFFFAOYSA-N
MW185.70 g/mol
LogP3.20
Rot. Bonds7

About N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine

N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine (PubChem CID 139724286) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine.

Molecular Properties

Compound NameN-chloro-4-prop-2-enylhepta-1,6-dien-4-amine
PubChem CID139724286
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC NameN-chloro-4-prop-2-enylhepta-1,6-dien-4-amine
SMILESC=CCC(CC=C)(CC=C)NCl
InChIInChI=1S/C10H16ClN/c1-4-7-10(12-11,8-5-2)9-6-3/h4-6,12H,1-3,7-9H2
InChIKeyJULSZZYSGSNINZ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
4-chloro-4-methylpent-1-ene
CID 14174361
4-chloro-4-methylpent-1-ene;silane
CID 174547745
hepta-1,6-diene-4,4-diamine
CID 21275124
2-chloro-2-prop-2-enylpent-4-en-1-amine
CID 87643832
5-but-1-enyl-5-prop-2-enylnona-3,6-diene
CID 173069698
2,2-bis(prop-2-enyl)pent-4-enoyl chloride
CID 18943909
4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
CID 87691553
1-ethyl-3-(3-ethylhex-5-en-3-yl)urea
CID 170091318
[2-(2,2-dimethylpropanoyloxymethyl)-2-(hydroxyamino)pent-4-enyl] 2,2-dimethylpropanoate
CID 172708004
5-fluoro-4,4-bis(fluoromethyl)pent-1-ene
CID 57192744

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine?
The IUPAC name of N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine (CID 139724286) is N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine.
What is the SMILES notation for N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine?
The canonical SMILES for N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine is C=CCC(CC=C)(CC=C)NCl.
What is the InChIKey of N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine?
The InChIKey is JULSZZYSGSNINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN/c1-4-7-10(12-11,8-5-2)9-6-3/h4-6,12H,1-3,7-9H2.
What are the key properties of N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine?
N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine has a molecular weight of 185.70 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-prop-2-enylhepta-1,6-dien-4-amine is sourced from PubChem (CID 139724286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).