N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine

C16H30N2 — CID 70819876

IUPACN-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine
SMILESCCCCN(CCC)C1=NCC(C)C=C1CCC
InChIInChI=1S/C16H30N2/c1-5-8-11-18(10-7-3)16-15(9-6-2)12-14(4)13-17-16/h12,14H,5-11,13H2,1-4H3
InChIKeyHPACHQXMSIUOQZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.27
Rot. Bonds7

About N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine

N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine (PubChem CID 70819876) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine
PubChem CID70819876
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine
SMILESCCCCN(CCC)C1=NCC(C)C=C1CCC
InChIInChI=1S/C16H30N2/c1-5-8-11-18(10-7-3)16-15(9-6-2)12-14(4)13-17-16/h12,14H,5-11,13H2,1-4H3
InChIKeyHPACHQXMSIUOQZ-UHFFFAOYSA-N
XLogP4.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine?
The IUPAC name of N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine (CID 70819876) is N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine.
What is the SMILES notation for N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine?
The canonical SMILES for N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine is CCCCN(CCC)C1=NCC(C)C=C1CCC.
What is the InChIKey of N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine?
The InChIKey is HPACHQXMSIUOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-8-11-18(10-7-3)16-15(9-6-2)12-14(4)13-17-16/h12,14H,5-11,13H2,1-4H3.
What are the key properties of N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine?
N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine has a molecular weight of 250.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N,5-dipropyl-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 70819876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).