6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol

C17H35NO — CID 107849266

IUPAC6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
SMILESCC(C)(C)C1CCC(CNCCCCCCO)CC1
InChIInChI=1S/C17H35NO/c1-17(2,3)16-10-8-15(9-11-16)14-18-12-6-4-5-7-13-19/h15-16,18-19H,4-14H2,1-3H3
InChIKeyXHIUNYNDLIAAHG-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.98
Rot. Bonds8

About 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol

6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol (PubChem CID 107849266) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
PubChem CID107849266
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
SMILESCC(C)(C)C1CCC(CNCCCCCCO)CC1
InChIInChI=1S/C17H35NO/c1-17(2,3)16-10-8-15(9-11-16)14-18-12-6-4-5-7-13-19/h15-16,18-19H,4-14H2,1-3H3
InChIKeyXHIUNYNDLIAAHG-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.98
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

N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
CID 102674917

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol (CID 107849266) is 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol is CC(C)(C)C1CCC(CNCCCCCCO)CC1.
What is the InChIKey of 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol?
The InChIKey is XHIUNYNDLIAAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-17(2,3)16-10-8-15(9-11-16)14-18-12-6-4-5-7-13-19/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol?
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol is sourced from PubChem (CID 107849266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).