2-[(cycloheptylamino)methyl]cyclohexan-1-ol

C14H27NO — CID 64928206

IUPAC2-[(cycloheptylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1CCCCCC1
InChIInChI=1S/C14H27NO/c16-14-10-6-5-7-12(14)11-15-13-8-3-1-2-4-9-13/h12-16H,1-11H2
InChIKeyRWTSLTCZOKHRAO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds3

About 2-[(cycloheptylamino)methyl]cyclohexan-1-ol

2-[(cycloheptylamino)methyl]cyclohexan-1-ol (PubChem CID 64928206) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(cycloheptylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(cycloheptylamino)methyl]cyclohexan-1-ol
PubChem CID64928206
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(cycloheptylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1CCCCCC1
InChIInChI=1S/C14H27NO/c16-14-10-6-5-7-12(14)11-15-13-8-3-1-2-4-9-13/h12-16H,1-11H2
InChIKeyRWTSLTCZOKHRAO-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(cycloheptylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(cycloheptylamino)methyl]cyclohexan-1-ol (CID 64928206) is 2-[(cycloheptylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(cycloheptylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(cycloheptylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNC1CCCCCC1.
What is the InChIKey of 2-[(cycloheptylamino)methyl]cyclohexan-1-ol?
The InChIKey is RWTSLTCZOKHRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c16-14-10-6-5-7-12(14)11-15-13-8-3-1-2-4-9-13/h12-16H,1-11H2.
What are the key properties of 2-[(cycloheptylamino)methyl]cyclohexan-1-ol?
2-[(cycloheptylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cycloheptylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).