N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine

C17H32N2 — CID 170581603

IUPACN-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
SMILESCC1=C(C(C)C)CCC(N(C)CCC(C)C(C)C)=N1
InChIInChI=1S/C17H32N2/c1-12(2)14(5)10-11-19(7)17-9-8-16(13(3)4)15(6)18-17/h12-14H,8-11H2,1-7H3
InChIKeyINWISPJBLIAJOE-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.72
Rot. Bonds5

About N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine

N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine (PubChem CID 170581603) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
PubChem CID170581603
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
SMILESCC1=C(C(C)C)CCC(N(C)CCC(C)C(C)C)=N1
InChIInChI=1S/C17H32N2/c1-12(2)14(5)10-11-19(7)17-9-8-16(13(3)4)15(6)18-17/h12-14H,8-11H2,1-7H3
InChIKeyINWISPJBLIAJOE-UHFFFAOYSA-N
XLogP4.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-ditert-butyl-3-methyl-1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine
CID 130218762
2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine;ethane
CID 143730738
N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
CID 170581458
5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine
CID 174319616
2-[2-(2,3-dimethylcyclopropen-1-yl)ethyl]-1-ethyl-5,6-dihydro-4H-pyrimidine
CID 143730739
1,5-Dibutyl-1,2-dimethyl-4-(3-methylbutyl)imidazol-1-ium
CID 175301780
5-Butyl-1-ethyl-1,2-dimethyl-4-(3-methylbutyl)imidazol-1-ium
CID 175301786
1,2-Diethyl-1,5-dimethyl-4-pentan-2-ylimidazol-1-ium
CID 175344827

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine (CID 170581603) is N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine is CC1=C(C(C)C)CCC(N(C)CCC(C)C(C)C)=N1.
What is the InChIKey of N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
The InChIKey is INWISPJBLIAJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-12(2)14(5)10-11-19(7)17-9-8-16(13(3)4)15(6)18-17/h12-14H,8-11H2,1-7H3.
What are the key properties of N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine has a molecular weight of 264.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpentyl)-N,6-dimethyl-5-propan-2-yl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 170581603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).