2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol

C16H31NO2 — CID 64805072

IUPAC2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
SMILESCC1CCC(OCCCC(C)(CO)NC2CC2)CC1
InChIInChI=1S/C16H31NO2/c1-13-4-8-15(9-5-13)19-11-3-10-16(2,12-18)17-14-6-7-14/h13-15,17-18H,3-12H2,1-2H3
InChIKeyUVDKRLFJCOCKMA-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.86
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol

2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol (PubChem CID 64805072) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
PubChem CID64805072
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
SMILESCC1CCC(OCCCC(C)(CO)NC2CC2)CC1
InChIInChI=1S/C16H31NO2/c1-13-4-8-15(9-5-13)19-11-3-10-16(2,12-18)17-14-6-7-14/h13-15,17-18H,3-12H2,1-2H3
InChIKeyUVDKRLFJCOCKMA-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-5-(3,5-dimethylcyclohexyl)oxy-2-methylpentan-1-ol
CID 64808158
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
CID 64807530
2-methyl-6-(4-methylcyclohexyl)oxy-2-(propan-2-ylamino)hexan-1-ol
CID 64802360
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
CID 64809105
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
2-(cyclopropylamino)-4-(2-ethoxyethoxy)-2-methylbutan-1-ol
CID 64802763
5-[bis(2-methoxyethyl)amino]-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64827377

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol (CID 64805072) is 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol is CC1CCC(OCCCC(C)(CO)NC2CC2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol?
The InChIKey is UVDKRLFJCOCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13-4-8-15(9-5-13)19-11-3-10-16(2,12-18)17-14-6-7-14/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol is sourced from PubChem (CID 64805072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).