N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine

C15H27NO — CID 43766394

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCC1=CCCCC1
InChIInChI=1S/C15H27NO/c1-17-15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h7,14-16H,2-6,8-12H2,1H3
InChIKeyQMKFPPQBRRIPNO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43766394) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43766394
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCC1=CCCCC1
InChIInChI=1S/C15H27NO/c1-17-15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h7,14-16H,2-6,8-12H2,1H3
InChIKeyQMKFPPQBRRIPNO-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine (CID 43766394) is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is QMKFPPQBRRIPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-17-15-10-6-5-9-14(15)16-12-11-13-7-3-2-4-8-13/h7,14-16H,2-6,8-12H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43766394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).