N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine

C12H23NO — CID 62326173

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-14-11-5-9-13-10-8-12-6-3-2-4-7-12/h6,13H,2-5,7-11H2,1H3
InChIKeyUWZWCICELWEGHG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine (PubChem CID 62326173) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine
PubChem CID62326173
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-14-11-5-9-13-10-8-12-6-3-2-4-7-12/h6,13H,2-5,7-11H2,1H3
InChIKeyUWZWCICELWEGHG-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine (CID 62326173) is N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine is COCCCNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is UWZWCICELWEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-14-11-5-9-13-10-8-12-6-3-2-4-7-12/h6,13H,2-5,7-11H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 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]-3-methoxypropan-1-amine is sourced from PubChem (CID 62326173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).