N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine

C13H23N — CID 107908398

IUPACN-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine
SMILESCC1CCC(CNC2C=CCCC2)C1
InChIInChI=1S/C13H23N/c1-11-7-8-12(9-11)10-14-13-5-3-2-4-6-13/h3,5,11-14H,2,4,6-10H2,1H3
InChIKeyOXRZSNWETGTEQV-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds3

About N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine

N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine (PubChem CID 107908398) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine
PubChem CID107908398
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine
SMILESCC1CCC(CNC2C=CCCC2)C1
InChIInChI=1S/C13H23N/c1-11-7-8-12(9-11)10-14-13-5-3-2-4-6-13/h3,5,11-14H,2,4,6-10H2,1H3
InChIKeyOXRZSNWETGTEQV-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.12
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

N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027
N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
N-(3-methylcyclopentyl)cyclohex-2-en-1-amine
CID 115893652
2-[(3-methylcyclopentyl)methylamino]cyclopentan-1-ol
CID 107412781
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
N-propylcyclooct-2-en-1-amine
CID 123644376
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
N-(oxolan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906466
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
N-[(3-methylcyclopentyl)methyl]azetidin-3-amine
CID 107412080
N-[(3-methylcyclopentyl)methyl]hydroxylamine
CID 58861173
N-(1,4-dioxan-2-ylmethyl)cyclohex-2-en-1-amine
CID 107906675

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine (CID 107908398) is N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine is CC1CCC(CNC2C=CCCC2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine?
The InChIKey is OXRZSNWETGTEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11-7-8-12(9-11)10-14-13-5-3-2-4-6-13/h3,5,11-14H,2,4,6-10H2,1H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine?
N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107908398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).