[1-(aminomethyl)cycloheptyl]methanol

C9H19NO — CID 23120751

IUPAC[1-(aminomethyl)cycloheptyl]methanol
SMILESNCC1(CO)CCCCCC1
InChIInChI=1S/C9H19NO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8,10H2
InChIKeyCUSMDAXJTOHSIX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds2

About [1-(aminomethyl)cycloheptyl]methanol

[1-(aminomethyl)cycloheptyl]methanol (PubChem CID 23120751) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]methanol
PubChem CID23120751
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[1-(aminomethyl)cycloheptyl]methanol
SMILESNCC1(CO)CCCCCC1
InChIInChI=1S/C9H19NO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8,10H2
InChIKeyCUSMDAXJTOHSIX-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]methanol?
The IUPAC name of [1-(aminomethyl)cycloheptyl]methanol (CID 23120751) is [1-(aminomethyl)cycloheptyl]methanol.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]methanol?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]methanol is NCC1(CO)CCCCCC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]methanol?
The InChIKey is CUSMDAXJTOHSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c10-7-9(8-11)5-3-1-2-4-6-9/h11H,1-8,10H2.
What are the key properties of [1-(aminomethyl)cycloheptyl]methanol?
[1-(aminomethyl)cycloheptyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]methanol is sourced from PubChem (CID 23120751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).