1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine

C8H14N4 — CID 130280061

IUPAC1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1ccncc1N
InChIInChI=1S/C8H14N4/c1-11-8(4-9)6-2-3-12-5-7(6)10/h2-3,5,8,11H,4,9-10H2,1H3
InChIKeyFZXKEVJEQAPXHG-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.12
Rot. Bonds3

About 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine

1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine (PubChem CID 130280061) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
PubChem CID130280061
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
SMILESCNC(CN)c1ccncc1N
InChIInChI=1S/C8H14N4/c1-11-8(4-9)6-2-3-12-5-7(6)10/h2-3,5,8,11H,4,9-10H2,1H3
InChIKeyFZXKEVJEQAPXHG-UHFFFAOYSA-N
XLogP-0.12
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-(methylamino)ethyl]pyridin-3-amine
CID 130680311
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
3-(3-amino-4-pyridinyl)pentane-1,4-diamine
CID 90212207
1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087902
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
(1S,2S)-1-amino-1-(3-amino-4-pyridinyl)propan-2-ol
CID 55293070
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
CID 55292643
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine (CID 130280061) is 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine is CNC(CN)c1ccncc1N.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine?
The InChIKey is FZXKEVJEQAPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-8(4-9)6-2-3-12-5-7(6)10/h2-3,5,8,11H,4,9-10H2,1H3.
What are the key properties of 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine?
1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine has a molecular weight of 166.23 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 130280061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).