3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol

C12H25NO — CID 59852460

IUPAC3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-10(2)13-12(9-14)8-11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3
InChIKeyFIGBCLNXCUXDHA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds5

About 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol

3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 59852460) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID59852460
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-10(2)13-12(9-14)8-11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3
InChIKeyFIGBCLNXCUXDHA-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol (CID 59852460) is 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)CC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is FIGBCLNXCUXDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)13-12(9-14)8-11-6-4-3-5-7-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol?
3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 59852460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).