2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol

C15H29NO — CID 55173697

IUPAC2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol
SMILESCC1CCC(CNC2CCCCCC2O)CC1
InChIInChI=1S/C15H29NO/c1-12-7-9-13(10-8-12)11-16-14-5-3-2-4-6-15(14)17/h12-17H,2-11H2,1H3
InChIKeyLDJKDNXDXJWKIV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds3

About 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol

2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol (PubChem CID 55173697) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol
PubChem CID55173697
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol
SMILESCC1CCC(CNC2CCCCCC2O)CC1
InChIInChI=1S/C15H29NO/c1-12-7-9-13(10-8-12)11-16-14-5-3-2-4-6-15(14)17/h12-17H,2-11H2,1H3
InChIKeyLDJKDNXDXJWKIV-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol (CID 55173697) is 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol is CC1CCC(CNC2CCCCCC2O)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol?
The InChIKey is LDJKDNXDXJWKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-7-9-13(10-8-12)11-16-14-5-3-2-4-6-15(14)17/h12-17H,2-11H2,1H3.
What are the key properties of 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol?
2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 55173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).