1-[(propan-2-ylamino)methyl]cyclohexan-1-ol

C10H21NO — CID 59988894

IUPAC1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)NCC1(O)CCCCC1
InChIInChI=1S/C10H21NO/c1-9(2)11-8-10(12)6-4-3-5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeyCAZJUPSWZGFEGO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds3

About 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol

1-[(propan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 59988894) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID59988894
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)NCC1(O)CCCCC1
InChIInChI=1S/C10H21NO/c1-9(2)11-8-10(12)6-4-3-5-7-10/h9,11-12H,3-8H2,1-2H3
InChIKeyCAZJUPSWZGFEGO-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol (CID 59988894) is 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol is CC(C)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is CAZJUPSWZGFEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-8-10(12)6-4-3-5-7-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol?
1-[(propan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(propan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 59988894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).