N-pentan-3-ylcyclohex-2-en-1-amine

C11H21N — CID 103653582

IUPACN-pentan-3-ylcyclohex-2-en-1-amine
SMILESCCC(CC)NC1C=CCCC1
InChIInChI=1S/C11H21N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyHJIZOMONKMMEBT-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds4

About N-pentan-3-ylcyclohex-2-en-1-amine

N-pentan-3-ylcyclohex-2-en-1-amine (PubChem CID 103653582) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-pentan-3-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-pentan-3-ylcyclohex-2-en-1-amine
PubChem CID103653582
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-pentan-3-ylcyclohex-2-en-1-amine
SMILESCCC(CC)NC1C=CCCC1
InChIInChI=1S/C11H21N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyHJIZOMONKMMEBT-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
7-Azanorbornene
CID 143286
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

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-ylcyclohex-2-en-1-amine?
The IUPAC name of N-pentan-3-ylcyclohex-2-en-1-amine (CID 103653582) is N-pentan-3-ylcyclohex-2-en-1-amine.
What is the SMILES notation for N-pentan-3-ylcyclohex-2-en-1-amine?
The canonical SMILES for N-pentan-3-ylcyclohex-2-en-1-amine is CCC(CC)NC1C=CCCC1.
What is the InChIKey of N-pentan-3-ylcyclohex-2-en-1-amine?
The InChIKey is HJIZOMONKMMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-10(4-2)12-11-8-6-5-7-9-11/h6,8,10-12H,3-5,7,9H2,1-2H3.
What are the key properties of N-pentan-3-ylcyclohex-2-en-1-amine?
N-pentan-3-ylcyclohex-2-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 103653582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).