5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine

C7H13N3 — CID 163808364

IUPAC5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine
SMILESCC1=C(CN)C(N)=NCC1
InChIInChI=1S/C7H13N3/c1-5-2-3-10-7(9)6(5)4-8/h2-4,8H2,1H3,(H2,9,10)
InChIKeyNLBMJSHBSGIXBS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.02
Rot. Bonds1

About 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine

5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine (PubChem CID 163808364) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine
PubChem CID163808364
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine
SMILESCC1=C(CN)C(N)=NCC1
InChIInChI=1S/C7H13N3/c1-5-2-3-10-7(9)6(5)4-8/h2-4,8H2,1H3,(H2,9,10)
InChIKeyNLBMJSHBSGIXBS-UHFFFAOYSA-N
XLogP0.02
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
CID 44313551
5-Methyl-2,3-dihydropyridin-6-amine
CID 144380992
(6-Amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium
CID 163808363
5-(1-Aminoethyl)-2,3-dihydropyridin-6-amine
CID 177180063
3,4-Dimethyl-2,5-dihydropyridin-6-amine
CID 55286282
5-propan-2-ylidene-3,4-dihydro-2H-pyridin-6-amine
CID 59395086

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine?
The IUPAC name of 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine (CID 163808364) is 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine?
The canonical SMILES for 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine is CC1=C(CN)C(N)=NCC1.
What is the InChIKey of 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine?
The InChIKey is NLBMJSHBSGIXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-2-3-10-7(9)6(5)4-8/h2-4,8H2,1H3,(H2,9,10).
What are the key properties of 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine?
5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine has a molecular weight of 139.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 163808364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).