6-[(3-methylcyclopentyl)methylamino]hexan-1-ol

C13H27NO — CID 107703705

IUPAC6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
SMILESCC1CCC(CNCCCCCCO)C1
InChIInChI=1S/C13H27NO/c1-12-6-7-13(10-12)11-14-8-4-2-3-5-9-15/h12-15H,2-11H2,1H3
InChIKeyMTAZVBJIXNSADB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds8

About 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol

6-[(3-methylcyclopentyl)methylamino]hexan-1-ol (PubChem CID 107703705) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
PubChem CID107703705
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
SMILESCC1CCC(CNCCCCCCO)C1
InChIInChI=1S/C13H27NO/c1-12-6-7-13(10-12)11-14-8-4-2-3-5-9-15/h12-15H,2-11H2,1H3
InChIKeyMTAZVBJIXNSADB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
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

4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412907
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
CID 107412884
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[(3-methylcyclopentyl)methyl]hydroxylamine
CID 58861173
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol (CID 107703705) is 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol is CC1CCC(CNCCCCCCO)C1.
What is the InChIKey of 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol?
The InChIKey is MTAZVBJIXNSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12-6-7-13(10-12)11-14-8-4-2-3-5-9-15/h12-15H,2-11H2,1H3.
What are the key properties of 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol?
6-[(3-methylcyclopentyl)methylamino]hexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylcyclopentyl)methylamino]hexan-1-ol is sourced from PubChem (CID 107703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).