[1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine

C10H20N2 — CID 54077877

IUPAC[1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine
SMILESNCC1CCC2CCC1(CN)C2
InChIInChI=1S/C10H20N2/c11-6-9-2-1-8-3-4-10(9,5-8)7-12/h8-9H,1-7,11-12H2
InChIKeyMKZJEXFFCRBNOC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.10
Rot. Bonds2

About [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine

[1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine (PubChem CID 54077877) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine
PubChem CID54077877
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine
SMILESNCC1CCC2CCC1(CN)C2
InChIInChI=1S/C10H20N2/c11-6-9-2-1-8-3-4-10(9,5-8)7-12/h8-9H,1-7,11-12H2
InChIKeyMKZJEXFFCRBNOC-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine?
The IUPAC name of [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine (CID 54077877) is [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine.
What is the SMILES notation for [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine?
The canonical SMILES for [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine is NCC1CCC2CCC1(CN)C2.
What is the InChIKey of [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine?
The InChIKey is MKZJEXFFCRBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-6-9-2-1-8-3-4-10(9,5-8)7-12/h8-9H,1-7,11-12H2.
What are the key properties of [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine?
[1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine has a molecular weight of 168.28 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 [1-(aminomethyl)-2-bicyclo[3.2.1]octanyl]methanamine is sourced from PubChem (CID 54077877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).