1-[(cycloheptylamino)methyl]cycloheptan-1-ol

C15H29NO — CID 60710664

IUPAC1-[(cycloheptylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCCCCC2)CCCCCC1
InChIInChI=1S/C15H29NO/c17-15(11-7-3-4-8-12-15)13-16-14-9-5-1-2-6-10-14/h14,16-17H,1-13H2
InChIKeyZATRAQRWICIYFA-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds3

About 1-[(cycloheptylamino)methyl]cycloheptan-1-ol

1-[(cycloheptylamino)methyl]cycloheptan-1-ol (PubChem CID 60710664) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[(cycloheptylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(cycloheptylamino)methyl]cycloheptan-1-ol
PubChem CID60710664
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[(cycloheptylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCCCCC2)CCCCCC1
InChIInChI=1S/C15H29NO/c17-15(11-7-3-4-8-12-15)13-16-14-9-5-1-2-6-10-14/h14,16-17H,1-13H2
InChIKeyZATRAQRWICIYFA-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(cycloheptylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(cycloheptylamino)methyl]cycloheptan-1-ol (CID 60710664) is 1-[(cycloheptylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(cycloheptylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(cycloheptylamino)methyl]cycloheptan-1-ol is OC1(CNC2CCCCCC2)CCCCCC1.
What is the InChIKey of 1-[(cycloheptylamino)methyl]cycloheptan-1-ol?
The InChIKey is ZATRAQRWICIYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c17-15(11-7-3-4-8-12-15)13-16-14-9-5-1-2-6-10-14/h14,16-17H,1-13H2.
What are the key properties of 1-[(cycloheptylamino)methyl]cycloheptan-1-ol?
1-[(cycloheptylamino)methyl]cycloheptan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cycloheptylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60710664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).