1-(aminomethyl)cycloheptan-1-ol

C8H17NO — CID 18438648

IUPAC1-(aminomethyl)cycloheptan-1-ol
SMILESNCC1(O)CCCCCC1
InChIInChI=1S/C8H17NO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-7,9H2
InChIKeyZOIJDKLCFSGRFF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.03
Rot. Bonds1

About 1-(aminomethyl)cycloheptan-1-ol

1-(aminomethyl)cycloheptan-1-ol (PubChem CID 18438648) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(aminomethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)cycloheptan-1-ol
PubChem CID18438648
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(aminomethyl)cycloheptan-1-ol
SMILESNCC1(O)CCCCCC1
InChIInChI=1S/C8H17NO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-7,9H2
InChIKeyZOIJDKLCFSGRFF-UHFFFAOYSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cycloheptan-1-ol?
The IUPAC name of 1-(aminomethyl)cycloheptan-1-ol (CID 18438648) is 1-(aminomethyl)cycloheptan-1-ol.
What is the SMILES notation for 1-(aminomethyl)cycloheptan-1-ol?
The canonical SMILES for 1-(aminomethyl)cycloheptan-1-ol is NCC1(O)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)cycloheptan-1-ol?
The InChIKey is ZOIJDKLCFSGRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-7,9H2.
What are the key properties of 1-(aminomethyl)cycloheptan-1-ol?
1-(aminomethyl)cycloheptan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cycloheptan-1-ol is sourced from PubChem (CID 18438648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).