3-(4-methoxycyclohexyl)-N-methylpropan-1-amine

C11H23NO — CID 70327252

IUPAC3-(4-methoxycyclohexyl)-N-methylpropan-1-amine
SMILESCNCCCC1CCC(OC)CC1
InChIInChI=1S/C11H23NO/c1-12-9-3-4-10-5-7-11(13-2)8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyKJFSAEFWXAJXCI-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine

3-(4-methoxycyclohexyl)-N-methylpropan-1-amine (PubChem CID 70327252) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxycyclohexyl)-N-methylpropan-1-amine
PubChem CID70327252
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(4-methoxycyclohexyl)-N-methylpropan-1-amine
SMILESCNCCCC1CCC(OC)CC1
InChIInChI=1S/C11H23NO/c1-12-9-3-4-10-5-7-11(13-2)8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyKJFSAEFWXAJXCI-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
Cyclohexanol, 4-(2-methylaminoethyl)-
CID 3048673
2-(4-Methoxycyclohexyl)ethylamine
CID 53434199
2-Cyclohexyl-2-methoxyethan-1-amine
CID 57016644
(4-Methoxycyclohexyl)methanamine
CID 55281686
4-(2-(Methylamino)propyl)cyclohexanol
CID 115669
1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
trans-N-methyl-1-[4-(trifluoromethoxy)cyclohexyl]methanamine
CID 137346893
1-[2-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
CID 84720013
1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
CID 84720027
2-cyclohexyl-2-(difluoromethoxy)-N-methylethanamine
CID 84722393
2-[2-(difluoromethoxy)cyclohexyl]-N-methylethanamine
CID 84722400

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine (CID 70327252) is 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine is CNCCCC1CCC(OC)CC1.
What is the InChIKey of 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine?
The InChIKey is KJFSAEFWXAJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-12-9-3-4-10-5-7-11(13-2)8-6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine?
3-(4-methoxycyclohexyl)-N-methylpropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 70327252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).