3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine

C7H15N3 — CID 123177422

IUPAC3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine
SMILESCC1(N)N=CCCC1CN
InChIInChI=1S/C7H15N3/c1-7(9)6(5-8)3-2-4-10-7/h4,6H,2-3,5,8-9H2,1H3
InChIKeyULGGJQILMIOWHZ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.10
Rot. Bonds1

About 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine

3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine (PubChem CID 123177422) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine
PubChem CID123177422
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine
SMILESCC1(N)N=CCCC1CN
InChIInChI=1S/C7H15N3/c1-7(9)6(5-8)3-2-4-10-7/h4,6H,2-3,5,8-9H2,1H3
InChIKeyULGGJQILMIOWHZ-UHFFFAOYSA-N
XLogP0.10
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine (CID 123177422) is 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine is CC1(N)N=CCCC1CN.
What is the InChIKey of 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine?
The InChIKey is ULGGJQILMIOWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-7(9)6(5-8)3-2-4-10-7/h4,6H,2-3,5,8-9H2,1H3.
What are the key properties of 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine?
3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine has a molecular weight of 141.22 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine is sourced from PubChem (CID 123177422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).