1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine

C10H18N2 — CID 145352640

IUPAC1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(C1=CN=CCC1)N(C)C
InChIInChI=1S/C10H18N2/c1-4-10(12(2)3)9-6-5-7-11-8-9/h7-8,10H,4-6H2,1-3H3
InChIKeyHJOZQBKZSROOMP-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds3

About 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine

1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine (PubChem CID 145352640) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine
PubChem CID145352640
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(C1=CN=CCC1)N(C)C
InChIInChI=1S/C10H18N2/c1-4-10(12(2)3)9-6-5-7-11-8-9/h7-8,10H,4-6H2,1-3H3
InChIKeyHJOZQBKZSROOMP-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine (CID 145352640) is 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine is CCC(C1=CN=CCC1)N(C)C.
What is the InChIKey of 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is HJOZQBKZSROOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-10(12(2)3)9-6-5-7-11-8-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine?
1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-5-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145352640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).