3-[(4-methylcyclohexyl)methylamino]propan-1-ol

C11H23NO — CID 63243568

IUPAC3-[(4-methylcyclohexyl)methylamino]propan-1-ol
SMILESCC1CCC(CNCCCO)CC1
InChIInChI=1S/C11H23NO/c1-10-3-5-11(6-4-10)9-12-7-2-8-13/h10-13H,2-9H2,1H3
InChIKeyCSTJFJHDDRPKPI-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds5

About 3-[(4-methylcyclohexyl)methylamino]propan-1-ol

3-[(4-methylcyclohexyl)methylamino]propan-1-ol (PubChem CID 63243568) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)methylamino]propan-1-ol
PubChem CID63243568
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[(4-methylcyclohexyl)methylamino]propan-1-ol
SMILESCC1CCC(CNCCCO)CC1
InChIInChI=1S/C11H23NO/c1-10-3-5-11(6-4-10)9-12-7-2-8-13/h10-13H,2-9H2,1H3
InChIKeyCSTJFJHDDRPKPI-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
CID 79208918
2-ethylsulfanyl-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 104668516
3-[(3-hydroxypropylamino)methyl]cyclobutan-1-ol
CID 66004235

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(4-methylcyclohexyl)methylamino]propan-1-ol (CID 63243568) is 3-[(4-methylcyclohexyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-methylcyclohexyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(4-methylcyclohexyl)methylamino]propan-1-ol is CC1CCC(CNCCCO)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)methylamino]propan-1-ol?
The InChIKey is CSTJFJHDDRPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-3-5-11(6-4-10)9-12-7-2-8-13/h10-13H,2-9H2,1H3.
What are the key properties of 3-[(4-methylcyclohexyl)methylamino]propan-1-ol?
3-[(4-methylcyclohexyl)methylamino]propan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)methylamino]propan-1-ol is sourced from PubChem (CID 63243568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).