[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

C10H21N3 — CID 121275098

IUPAC[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCCN1C2CCC1C(CN)C2CN
InChIInChI=1S/C10H21N3/c1-2-13-9-3-4-10(13)8(6-12)7(9)5-11/h7-10H,2-6,11-12H2,1H3
InChIKeySQKSREBQVRMWTB-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.00
Rot. Bonds3

About [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine

[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 121275098) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID121275098
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCCN1C2CCC1C(CN)C2CN
InChIInChI=1S/C10H21N3/c1-2-13-9-3-4-10(13)8(6-12)7(9)5-11/h7-10H,2-6,11-12H2,1H3
InChIKeySQKSREBQVRMWTB-UHFFFAOYSA-N
XLogP0.00
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine (CID 121275098) is [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is CCN1C2CCC1C(CN)C2CN.
What is the InChIKey of [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is SQKSREBQVRMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-13-9-3-4-10(13)8(6-12)7(9)5-11/h7-10H,2-6,11-12H2,1H3.
What are the key properties of [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine?
[3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 183.30 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-7-ethyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 121275098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).