4-amino-1-(4-methylpentyl)cyclohexan-1-ol

C12H25NO — CID 83157525

IUPAC4-amino-1-(4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCCC1(O)CCC(N)CC1
InChIInChI=1S/C12H25NO/c1-10(2)4-3-7-12(14)8-5-11(13)6-9-12/h10-11,14H,3-9,13H2,1-2H3
InChIKeyXHOYDRMUXLVJOQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.45
Rot. Bonds4

About 4-amino-1-(4-methylpentyl)cyclohexan-1-ol

4-amino-1-(4-methylpentyl)cyclohexan-1-ol (PubChem CID 83157525) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-amino-1-(4-methylpentyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(4-methylpentyl)cyclohexan-1-ol
PubChem CID83157525
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-amino-1-(4-methylpentyl)cyclohexan-1-ol
SMILESCC(C)CCCC1(O)CCC(N)CC1
InChIInChI=1S/C12H25NO/c1-10(2)4-3-7-12(14)8-5-11(13)6-9-12/h10-11,14H,3-9,13H2,1-2H3
InChIKeyXHOYDRMUXLVJOQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methylpentyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(4-methylpentyl)cyclohexan-1-ol (CID 83157525) is 4-amino-1-(4-methylpentyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(4-methylpentyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(4-methylpentyl)cyclohexan-1-ol is CC(C)CCCC1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(4-methylpentyl)cyclohexan-1-ol?
The InChIKey is XHOYDRMUXLVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)4-3-7-12(14)8-5-11(13)6-9-12/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 4-amino-1-(4-methylpentyl)cyclohexan-1-ol?
4-amino-1-(4-methylpentyl)cyclohexan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methylpentyl)cyclohexan-1-ol is sourced from PubChem (CID 83157525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).