(1S)-N-cyclohexylcyclohept-2-en-1-amine

C13H23N — CID 135171422

IUPAC(1S)-N-cyclohexylcyclohept-2-en-1-amine
SMILESC1=C[C@@H](NC2CCCCC2)CCCC1
InChIInChI=1S/C13H23N/c1-2-5-9-12(8-4-1)14-13-10-6-3-7-11-13/h4,8,12-14H,1-3,5-7,9-11H2/t12-/m1/s1
InChIKeyUGRDAMMQQOHBOO-GFCCVEGCSA-N
MW193.33 g/mol
LogP3.41
Rot. Bonds2

About (1S)-N-cyclohexylcyclohept-2-en-1-amine

(1S)-N-cyclohexylcyclohept-2-en-1-amine (PubChem CID 135171422) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1S)-N-cyclohexylcyclohept-2-en-1-amine.

Molecular Properties

Compound Name(1S)-N-cyclohexylcyclohept-2-en-1-amine
PubChem CID135171422
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1S)-N-cyclohexylcyclohept-2-en-1-amine
SMILESC1=C[C@@H](NC2CCCCC2)CCCC1
InChIInChI=1S/C13H23N/c1-2-5-9-12(8-4-1)14-13-10-6-3-7-11-13/h4,8,12-14H,1-3,5-7,9-11H2/t12-/m1/s1
InChIKeyUGRDAMMQQOHBOO-GFCCVEGCSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-cyclohexylcyclohept-2-en-1-amine?
The IUPAC name of (1S)-N-cyclohexylcyclohept-2-en-1-amine (CID 135171422) is (1S)-N-cyclohexylcyclohept-2-en-1-amine.
What is the SMILES notation for (1S)-N-cyclohexylcyclohept-2-en-1-amine?
The canonical SMILES for (1S)-N-cyclohexylcyclohept-2-en-1-amine is C1=C[C@@H](NC2CCCCC2)CCCC1.
What is the InChIKey of (1S)-N-cyclohexylcyclohept-2-en-1-amine?
The InChIKey is UGRDAMMQQOHBOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N/c1-2-5-9-12(8-4-1)14-13-10-6-3-7-11-13/h4,8,12-14H,1-3,5-7,9-11H2/t12-/m1/s1.
What are the key properties of (1S)-N-cyclohexylcyclohept-2-en-1-amine?
(1S)-N-cyclohexylcyclohept-2-en-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-cyclohexylcyclohept-2-en-1-amine is sourced from PubChem (CID 135171422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).