cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine

C14H25N — CID 97030527

IUPACcis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
SMILESC[C@@H]1CCC[C@@H]1NCCC1=CCCCC1
InChIInChI=1S/C14H25N/c1-12-6-5-9-14(12)15-11-10-13-7-3-2-4-8-13/h7,12,14-15H,2-6,8-11H2,1H3/t12-,14+/m1/s1
InChIKeyFCSBTKUGKJNZIL-OCCSQVGLSA-N
MW207.36 g/mol
LogP3.66
Rot. Bonds4

About cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine

cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine (PubChem CID 97030527) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
PubChem CID97030527
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Namecis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
SMILESC[C@@H]1CCC[C@@H]1NCCC1=CCCCC1
InChIInChI=1S/C14H25N/c1-12-6-5-9-14(12)15-11-10-13-7-3-2-4-8-13/h7,12,14-15H,2-6,8-11H2,1H3/t12-,14+/m1/s1
InChIKeyFCSBTKUGKJNZIL-OCCSQVGLSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.66
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-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 106170204
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine (CID 97030527) is cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine is C[C@@H]1CCC[C@@H]1NCCC1=CCCCC1.
What is the InChIKey of cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine?
The InChIKey is FCSBTKUGKJNZIL-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H25N/c1-12-6-5-9-14(12)15-11-10-13-7-3-2-4-8-13/h7,12,14-15H,2-6,8-11H2,1H3/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine?
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 97030527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).