5-(1-aminoethyl)-2,3-dihydropyridin-6-amine

C7H13N3 — CID 177180063

IUPAC5-(1-aminoethyl)-2,3-dihydropyridin-6-amine
SMILESCC(N)C1=CCCN=C1N
InChIInChI=1S/C7H13N3/c1-5(8)6-3-2-4-10-7(6)9/h3,5H,2,4,8H2,1H3,(H2,9,10)
InChIKeyMJJVKUWJCJQCOK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.02
Rot. Bonds1

About 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine

5-(1-aminoethyl)-2,3-dihydropyridin-6-amine (PubChem CID 177180063) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-2,3-dihydropyridin-6-amine
PubChem CID177180063
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-(1-aminoethyl)-2,3-dihydropyridin-6-amine
SMILESCC(N)C1=CCCN=C1N
InChIInChI=1S/C7H13N3/c1-5(8)6-3-2-4-10-7(6)9/h3,5H,2,4,8H2,1H3,(H2,9,10)
InChIKeyMJJVKUWJCJQCOK-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

4-Methyl-1,2,5,6-tetrahydropyridine-2-imine
CID 9793827
2-Pyridinamine, 3,6-dihydro-4-methyl-
CID 44313256
4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine
CID 44313550
(Z)-N'-(3-aminobutan-2-yl)-2-ethylbut-2-enimidamide
CID 90944521
5-Methyl-2,3-dihydropyridine-3,6-diamine
CID 91145889
(Z)-2-ethyl-N'-methylbut-2-enimidamide
CID 121285966
3,5-Dimethyl-2,3-dihydropyridin-6-amine
CID 123590083
5-Methyl-2,3-dihydropyridin-6-amine
CID 144380992
(4Z)-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 156082102
(6-Amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium
CID 163808363
N'-methyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075907
N',6-dimethyl-1,2,3,6-tetrahydropyridine-4-carboximidamide
CID 166075917

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine?
The IUPAC name of 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine (CID 177180063) is 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine?
The canonical SMILES for 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine is CC(N)C1=CCCN=C1N.
What is the InChIKey of 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine?
The InChIKey is MJJVKUWJCJQCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(8)6-3-2-4-10-7(6)9/h3,5H,2,4,8H2,1H3,(H2,9,10).
What are the key properties of 5-(1-aminoethyl)-2,3-dihydropyridin-6-amine?
5-(1-aminoethyl)-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-(1-aminoethyl)-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 177180063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).