N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine

C15H28N2 — CID 146551795

IUPACN-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine
SMILESCCCC1=CC=C(CCC(C)CC)NC1NC
InChIInChI=1S/C15H28N2/c1-5-7-13-9-11-14(17-15(13)16-4)10-8-12(3)6-2/h9,11-12,15-17H,5-8,10H2,1-4H3
InChIKeyVQSGHJIDPOHFOZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.57
Rot. Bonds7

About N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine

N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine (PubChem CID 146551795) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine
PubChem CID146551795
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine
SMILESCCCC1=CC=C(CCC(C)CC)NC1NC
InChIInChI=1S/C15H28N2/c1-5-7-13-9-11-14(17-15(13)16-4)10-8-12(3)6-2/h9,11-12,15-17H,5-8,10H2,1-4H3
InChIKeyVQSGHJIDPOHFOZ-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine?
The IUPAC name of N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine (CID 146551795) is N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine is CCCC1=CC=C(CCC(C)CC)NC1NC.
What is the InChIKey of N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine?
The InChIKey is VQSGHJIDPOHFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-5-7-13-9-11-14(17-15(13)16-4)10-8-12(3)6-2/h9,11-12,15-17H,5-8,10H2,1-4H3.
What are the key properties of N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine?
N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine has a molecular weight of 236.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylpentyl)-3-propyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 146551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).