1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine

C11H20N2 — CID 163825885

IUPAC1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)C1C=NC=CC1
InChIInChI=1S/C11H20N2/c1-3-4-7-11(12-2)10-6-5-8-13-9-10/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyNZLVNJLRQBGWBW-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.37
Rot. Bonds5

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

1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine (PubChem CID 163825885) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine
PubChem CID163825885
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)C1C=NC=CC1
InChIInChI=1S/C11H20N2/c1-3-4-7-11(12-2)10-6-5-8-13-9-10/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyNZLVNJLRQBGWBW-UHFFFAOYSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine (CID 163825885) is 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine is CCCCC(NC)C1C=NC=CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine?
The InChIKey is NZLVNJLRQBGWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-4-7-11(12-2)10-6-5-8-13-9-10/h5,8-12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine?
1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 163825885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).