N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine

C15H27N — CID 64922734

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCC2CC=CCC2)C1C
InChIInChI=1S/C15H27N/c1-3-14-9-10-15(12(14)2)16-11-13-7-5-4-6-8-13/h4-5,12-16H,3,6-11H2,1-2H3
InChIKeyWYKLLCXFWSSWBJ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.76
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64922734) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
PubChem CID64922734
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCC2CC=CCC2)C1C
InChIInChI=1S/C15H27N/c1-3-14-9-10-15(12(14)2)16-11-13-7-5-4-6-8-13/h4-5,12-16H,3,6-11H2,1-2H3
InChIKeyWYKLLCXFWSSWBJ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.76
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

2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103245487
trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
CID 104923298
cis-(1R,2S)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]cyclohexan-1-ol
CID 124673828
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
CID 63478638
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045797
3-ethyl-2-methyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64921005
N-(cyclohex-3-en-1-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43201367
4-propylcyclohexene
CID 518777
N-(cyclohex-3-en-1-ylmethyl)oxetan-3-amine
CID 63624037
N-(1,3-dioxan-4-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
CID 81102187
4-[(E)-pent-2-enyl]cyclohexene
CID 91748880
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine (CID 64922734) is N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine is CCC1CCC(NCC2CC=CCC2)C1C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is WYKLLCXFWSSWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-14-9-10-15(12(14)2)16-11-13-7-5-4-6-8-13/h4-5,12-16H,3,6-11H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64922734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).