1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol

C15H31NO — CID 79416509

IUPAC1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-5-6-13(11-16)15(17)9-7-12(8-10-15)14(2,3)4/h12-13,17H,5-11,16H2,1-4H3
InChIKeyWHTFMDKFBLCCPR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.33
Rot. Bonds4

About 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol

1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol (PubChem CID 79416509) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol
PubChem CID79416509
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-5-6-13(11-16)15(17)9-7-12(8-10-15)14(2,3)4/h12-13,17H,5-11,16H2,1-4H3
InChIKeyWHTFMDKFBLCCPR-UHFFFAOYSA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopentan-2-yl)-4-methylcycloheptan-1-ol
CID 79415272
1-(1-aminoethyl)-4-tert-butylcyclohexan-1-ol
CID 15638554
1-(1-aminopropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79127529
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
CID 79416014
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
1-(bromomethyl)-4-tert-butyl-1-pentan-2-ylcyclohexane
CID 107893201
4-tert-butyl-1-(2-methylpentyl)cyclohexane-1-carboxylic acid
CID 63402607
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
CID 79138435
4-tert-butyl-1-ethylcyclohexan-1-amine
CID 43809409
1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
CID 79415426

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol?
The IUPAC name of 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol (CID 79416509) is 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol is CCCC(CN)C1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol?
The InChIKey is WHTFMDKFBLCCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-6-13(11-16)15(17)9-7-12(8-10-15)14(2,3)4/h12-13,17H,5-11,16H2,1-4H3.
What are the key properties of 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol?
1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-2-yl)-4-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 79416509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).