[2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine

C8H19N3 — CID 69089691

IUPAC[2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine
SMILESCN1CCCCC1(CN)CN
InChIInChI=1S/C8H19N3/c1-11-5-3-2-4-8(11,6-9)7-10/h2-7,9-10H2,1H3
InChIKeyTWALDBJBRNMJHB-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.24
Rot. Bonds2

About [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine

[2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine (PubChem CID 69089691) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine
PubChem CID69089691
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name[2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine
SMILESCN1CCCCC1(CN)CN
InChIInChI=1S/C8H19N3/c1-11-5-3-2-4-8(11,6-9)7-10/h2-7,9-10H2,1H3
InChIKeyTWALDBJBRNMJHB-UHFFFAOYSA-N
XLogP-0.24
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine (CID 69089691) is [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine is CN1CCCCC1(CN)CN.
What is the InChIKey of [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine?
The InChIKey is TWALDBJBRNMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-11-5-3-2-4-8(11,6-9)7-10/h2-7,9-10H2,1H3.
What are the key properties of [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine?
[2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine has a molecular weight of 157.26 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 69089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).