1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol

C15H31NO — CID 71071350

IUPAC1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol
SMILESCCCCN(C(O)CCC)C1CCCCC1C
InChIInChI=1S/C15H31NO/c1-4-6-12-16(15(17)9-5-2)14-11-8-7-10-13(14)3/h13-15,17H,4-12H2,1-3H3
InChIKeyVDXNNNCKXHHOBX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.79
Rot. Bonds7

About 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol

1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol (PubChem CID 71071350) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol
PubChem CID71071350
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol
SMILESCCCCN(C(O)CCC)C1CCCCC1C
InChIInChI=1S/C15H31NO/c1-4-6-12-16(15(17)9-5-2)14-11-8-7-10-13(14)3/h13-15,17H,4-12H2,1-3H3
InChIKeyVDXNNNCKXHHOBX-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylcycloheptyl)-propylamino]ethanol
CID 71071733
1-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249210
4-[butyl-(2-methylcyclooctyl)amino]butan-1-ol
CID 71071404
1-[butyl-(2-methylcyclopropyl)amino]ethanol
CID 89249341
2-[butyl-(2-methylcyclopentyl)amino]ethanol
CID 89249359
1-[ethyl-(2-ethylcyclopentyl)amino]butan-1-ol
CID 71071156
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
1-(dibutylamino)butan-1-ol
CID 19802147
2-[butyl(cyclopropyl)amino]cyclododecan-1-ol
CID 63472104
4-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)butan-1-ol
CID 64827364
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042

Frequently Asked Questions

What is the IUPAC name of 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol?
The IUPAC name of 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol (CID 71071350) is 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol is CCCCN(C(O)CCC)C1CCCCC1C.
What is the InChIKey of 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol?
The InChIKey is VDXNNNCKXHHOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-12-16(15(17)9-5-2)14-11-8-7-10-13(14)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol?
1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol is sourced from PubChem (CID 71071350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).