N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine

C14H27N3 — CID 56633612

IUPACN,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine
SMILES[H]/N=C1\CC(C)=CN(C)C1CCCN(CC)CC
InChIInChI=1S/C14H27N3/c1-5-17(6-2)9-7-8-14-13(15)10-12(3)11-16(14)4/h11,14-15H,5-10H2,1-4H3/b15-13+
InChIKeyCCGMHSUZRWAYJT-FYWRMAATSA-N
MW237.39 g/mol
LogP2.74
Rot. Bonds6

About N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine

N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine (PubChem CID 56633612) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine
PubChem CID56633612
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine
SMILES[H]/N=C1\CC(C)=CN(C)C1CCCN(CC)CC
InChIInChI=1S/C14H27N3/c1-5-17(6-2)9-7-8-14-13(15)10-12(3)11-16(14)4/h11,14-15H,5-10H2,1-4H3/b15-13+
InChIKeyCCGMHSUZRWAYJT-FYWRMAATSA-N
XLogP2.74
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine (CID 56633612) is N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine is [H]/N=C1\CC(C)=CN(C)C1CCCN(CC)CC.
What is the InChIKey of N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine?
The InChIKey is CCGMHSUZRWAYJT-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-17(6-2)9-7-8-14-13(15)10-12(3)11-16(14)4/h11,14-15H,5-10H2,1-4H3/b15-13+.
What are the key properties of N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine?
N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine is sourced from PubChem (CID 56633612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).