3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine

C11H21N3 — CID 89060804

IUPAC3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine
SMILESCC1=C(N)C=C(CCCN(C)C)CN1
InChIInChI=1S/C11H21N3/c1-9-11(12)7-10(8-13-9)5-4-6-14(2)3/h7,13H,4-6,8,12H2,1-3H3
InChIKeySZSBWFUAKFZMEC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.05
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine

3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine (PubChem CID 89060804) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine
PubChem CID89060804
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine
SMILESCC1=C(N)C=C(CCCN(C)C)CN1
InChIInChI=1S/C11H21N3/c1-9-11(12)7-10(8-13-9)5-4-6-14(2)3/h7,13H,4-6,8,12H2,1-3H3
InChIKeySZSBWFUAKFZMEC-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine?
The IUPAC name of 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine (CID 89060804) is 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine is CC1=C(N)C=C(CCCN(C)C)CN1.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine?
The InChIKey is SZSBWFUAKFZMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-11(12)7-10(8-13-9)5-4-6-14(2)3/h7,13H,4-6,8,12H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine?
3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine has a molecular weight of 195.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-6-methyl-1,2-dihydropyridin-5-amine is sourced from PubChem (CID 89060804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).