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

C16H30N2 — CID 170581458

IUPACN-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
SMILESCC(C)C1=CN=C(N(C)CCC(C)C(C)C)CC1
InChIInChI=1S/C16H30N2/c1-12(2)14(5)9-10-18(6)16-8-7-15(11-17-16)13(3)4/h11-14H,7-10H2,1-6H3
InChIKeyJVFNMFQMJPWQEG-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.33
Rot. Bonds5

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

N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine (PubChem CID 170581458) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
PubChem CID170581458
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine
SMILESCC(C)C1=CN=C(N(C)CCC(C)C(C)C)CC1
InChIInChI=1S/C16H30N2/c1-12(2)14(5)9-10-18(6)16-8-7-15(11-17-16)13(3)4/h11-14H,7-10H2,1-6H3
InChIKeyJVFNMFQMJPWQEG-UHFFFAOYSA-N
XLogP4.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine (CID 170581458) is N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine is CC(C)C1=CN=C(N(C)CCC(C)C(C)C)CC1.
What is the InChIKey of N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
The InChIKey is JVFNMFQMJPWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12(2)14(5)9-10-18(6)16-8-7-15(11-17-16)13(3)4/h11-14H,7-10H2,1-6H3.
What are the key properties of N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine?
N-(3,4-dimethylpentyl)-N-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine has a molecular weight of 250.43 g/mol, XLogP of 4.33, 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-methyl-5-propan-2-yl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 170581458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).