5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane

C8H17N3 — CID 145498022

IUPAC5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane
SMILESCC.NCC1=C(N)NCC=C1
InChIInChI=1S/C6H11N3.C2H6/c7-4-5-2-1-3-9-6(5)8;1-2/h1-2,9H,3-4,7-8H2;1-2H3
InChIKeyXSXOWFGFZWHQAR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.30
Rot. Bonds1

About 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane

5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane (PubChem CID 145498022) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane.

Molecular Properties

Compound Name5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane
PubChem CID145498022
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane
SMILESCC.NCC1=C(N)NCC=C1
InChIInChI=1S/C6H11N3.C2H6/c7-4-5-2-1-3-9-6(5)8;1-2/h1-2,9H,3-4,7-8H2;1-2H3
InChIKeyXSXOWFGFZWHQAR-UHFFFAOYSA-N
XLogP0.30
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylpicoline
CID 21505664
4,4'-Dimethylaminobenzidine
CID 129887124
N-[(4-fluoro-5-methyl-2H-pyridin-1-yl)methyl]ethanamine
CID 137532740
3-[(3E,5Z)-3-[(Z)-2-amino-1-fluoroethenyl]-4-fluorohepta-1,3,5-trienyl]-5-(aminomethyl)-1,2-dihydropyridin-6-amine
CID 138718899
1-(6-fluoro-2-methyl-1,2-dihydropyridin-5-yl)-N'-[(Z)-2-methylbut-1-enyl]methanediamine
CID 141810241
N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
1-N'-[(2Z,4Z)-4,5-difluoro-6-methylhepta-2,4,6-trienyl]-1-N-methylethane-1,1-diamine
CID 166888907
4-Methyl-1,2-dihydropyridin-6-amine
CID 430192
5-(Aminomethyl)-6-methyl-1,2-dihydropyridin-2-amine
CID 53779356
1,5-dimethyl-2H-pyridin-2-amine
CID 56624006
4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57064971
2-methyl-4-(1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57279485

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane?
The IUPAC name of 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane (CID 145498022) is 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane.
What is the SMILES notation for 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane?
The canonical SMILES for 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane is CC.NCC1=C(N)NCC=C1.
What is the InChIKey of 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane?
The InChIKey is XSXOWFGFZWHQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C2H6/c7-4-5-2-1-3-9-6(5)8;1-2/h1-2,9H,3-4,7-8H2;1-2H3.
What are the key properties of 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane?
5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane has a molecular weight of 155.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,2-dihydropyridin-6-amine;ethane is sourced from PubChem (CID 145498022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).