4-amino-4-propan-2-ylcyclohexan-1-ol

C9H19NO — CID 99985687

IUPAC4-amino-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1(N)CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-7(2)9(10)5-3-8(11)4-6-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeyLDKAMDASECDKJW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-4-propan-2-ylcyclohexan-1-ol

4-amino-4-propan-2-ylcyclohexan-1-ol (PubChem CID 99985687) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-amino-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-propan-2-ylcyclohexan-1-ol
PubChem CID99985687
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-amino-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1(N)CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-7(2)9(10)5-3-8(11)4-6-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeyLDKAMDASECDKJW-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 4-amino-4-propan-2-ylcyclohexan-1-ol (CID 99985687) is 4-amino-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-amino-4-propan-2-ylcyclohexan-1-ol is CC(C)C1(N)CCC(O)CC1.
What is the InChIKey of 4-amino-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is LDKAMDASECDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(10)5-3-8(11)4-6-9/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 4-amino-4-propan-2-ylcyclohexan-1-ol?
4-amino-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 99985687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).