N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine

C13H21N — CID 89104660

IUPACN-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine
SMILESC=C/C=C\C(CC)NC1CC=CCC1
InChIInChI=1S/C13H21N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h3,5-7,9,12-14H,1,4,8,10-11H2,2H3/b9-5-
InChIKeyCDCCTMGPYXCQDI-UITAMQMPSA-N
MW191.32 g/mol
LogP3.21
Rot. Bonds5

About N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine

N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine (PubChem CID 89104660) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine
PubChem CID89104660
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine
SMILESC=C/C=C\C(CC)NC1CC=CCC1
InChIInChI=1S/C13H21N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h3,5-7,9,12-14H,1,4,8,10-11H2,2H3/b9-5-
InChIKeyCDCCTMGPYXCQDI-UITAMQMPSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
2-Methyl-6-prop-1-enylpiperidine
CID 580067
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1-dimethyl-
CID 6435019
2-((Z)-Prop-1-enyl)piperidine
CID 11051649
2-Methyl-6-(prop-2-enyl)piperidine (pinidine)
CID 5320605
Tetrahydrodiphenylamine
CID 13474776

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine?
The IUPAC name of N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine (CID 89104660) is N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine is C=C/C=C\C(CC)NC1CC=CCC1.
What is the InChIKey of N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine?
The InChIKey is CDCCTMGPYXCQDI-UITAMQMPSA-N. The full InChI is InChI=1S/C13H21N/c1-3-5-9-12(4-2)14-13-10-7-6-8-11-13/h3,5-7,9,12-14H,1,4,8,10-11H2,2H3/b9-5-.
What are the key properties of N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine?
N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-hepta-4,6-dien-3-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 89104660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).