(6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium

C7H14N3+ — CID 163808363

IUPAC(6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium
SMILESCC1=C(C[NH3+])C(N)=NCC1
InChIInChI=1S/C7H13N3/c1-5-2-3-10-7(9)6(5)4-8/h2-4,8H2,1H3,(H2,9,10)/p+1
InChIKeyNLBMJSHBSGIXBS-UHFFFAOYSA-O
MW140.21 g/mol
LogP-0.69
Rot. Bonds1

About (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium

(6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium (PubChem CID 163808363) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium.

Molecular Properties

Compound Name(6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium
PubChem CID163808363
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC Name(6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium
SMILESCC1=C(C[NH3+])C(N)=NCC1
InChIInChI=1S/C7H13N3/c1-5-2-3-10-7(9)6(5)4-8/h2-4,8H2,1H3,(H2,9,10)/p+1
InChIKeyNLBMJSHBSGIXBS-UHFFFAOYSA-O
XLogP-0.69
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
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
5-(Aminomethyl)-4-methyl-2,3-dihydropyridin-6-amine
CID 163808364

Frequently Asked Questions

What is the IUPAC name of (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium?
The IUPAC name of (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium (CID 163808363) is (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium.
What is the SMILES notation for (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium?
The canonical SMILES for (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium is CC1=C(C[NH3+])C(N)=NCC1.
What is the InChIKey of (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium?
The InChIKey is NLBMJSHBSGIXBS-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium?
(6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium has a molecular weight of 140.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4-methyl-2,3-dihydropyridin-5-yl)methylazanium is sourced from PubChem (CID 163808363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).