1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol

C13H27NO — CID 79416014

IUPAC1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCCC(C)C1C
InChIInChI=1S/C13H27NO/c1-4-6-12(9-14)13(15)8-5-7-10(2)11(13)3/h10-12,15H,4-9,14H2,1-3H3
InChIKeyBGFLWKSMSMKDEY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.55
Rot. Bonds4

About 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol

1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 79416014) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
PubChem CID79416014
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCCC(C)C1C
InChIInChI=1S/C13H27NO/c1-4-6-12(9-14)13(15)8-5-7-10(2)11(13)3/h10-12,15H,4-9,14H2,1-3H3
InChIKeyBGFLWKSMSMKDEY-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol (CID 79416014) is 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol is CCCC(CN)C1(O)CCCC(C)C1C.
What is the InChIKey of 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is BGFLWKSMSMKDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-12(9-14)13(15)8-5-7-10(2)11(13)3/h10-12,15H,4-9,14H2,1-3H3.
What are the key properties of 1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol?
1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.55, 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)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79416014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).