[4-(aminomethyl)cycloheptyl]methanamine

C9H20N2 — CID 23290792

IUPAC[4-(aminomethyl)cycloheptyl]methanamine
SMILESNCC1CCCC(CN)CC1
InChIInChI=1S/C9H20N2/c10-6-8-2-1-3-9(7-11)5-4-8/h8-9H,1-7,10-11H2
InChIKeyABAZOMOZENOXHG-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds2

About [4-(aminomethyl)cycloheptyl]methanamine

[4-(aminomethyl)cycloheptyl]methanamine (PubChem CID 23290792) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is [4-(aminomethyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)cycloheptyl]methanamine
PubChem CID23290792
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name[4-(aminomethyl)cycloheptyl]methanamine
SMILESNCC1CCCC(CN)CC1
InChIInChI=1S/C9H20N2/c10-6-8-2-1-3-9(7-11)5-4-8/h8-9H,1-7,10-11H2
InChIKeyABAZOMOZENOXHG-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cycloheptyl]methanamine?
The IUPAC name of [4-(aminomethyl)cycloheptyl]methanamine (CID 23290792) is [4-(aminomethyl)cycloheptyl]methanamine.
What is the SMILES notation for [4-(aminomethyl)cycloheptyl]methanamine?
The canonical SMILES for [4-(aminomethyl)cycloheptyl]methanamine is NCC1CCCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)cycloheptyl]methanamine?
The InChIKey is ABAZOMOZENOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-6-8-2-1-3-9(7-11)5-4-8/h8-9H,1-7,10-11H2.
What are the key properties of [4-(aminomethyl)cycloheptyl]methanamine?
[4-(aminomethyl)cycloheptyl]methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cycloheptyl]methanamine is sourced from PubChem (CID 23290792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).