2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine

C12H22N2 — CID 155232081

IUPAC2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine
SMILESCC(C)C1=NCC(C(N)C(C)C)C=C1
InChIInChI=1S/C12H22N2/c1-8(2)11-6-5-10(7-14-11)12(13)9(3)4/h5-6,8-10,12H,7,13H2,1-4H3
InChIKeyIZUQJPXJJHZEQN-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.25
Rot. Bonds3

About 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine

2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine (PubChem CID 155232081) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine
PubChem CID155232081
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine
SMILESCC(C)C1=NCC(C(N)C(C)C)C=C1
InChIInChI=1S/C12H22N2/c1-8(2)11-6-5-10(7-14-11)12(13)9(3)4/h5-6,8-10,12H,7,13H2,1-4H3
InChIKeyIZUQJPXJJHZEQN-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine (CID 155232081) is 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine is CC(C)C1=NCC(C(N)C(C)C)C=C1.
What is the InChIKey of 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine?
The InChIKey is IZUQJPXJJHZEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)11-6-5-10(7-14-11)12(13)9(3)4/h5-6,8-10,12H,7,13H2,1-4H3.
What are the key properties of 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine?
2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine is sourced from PubChem (CID 155232081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).