N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine

C11H20N2 — CID 168940529

IUPACN-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1C=CN=CC1
InChIInChI=1S/C11H20N2/c1-10(2)13(3)9-6-11-4-7-12-8-5-11/h4,7-8,10-11H,5-6,9H2,1-3H3
InChIKeyLGLSEOKQEKKJMS-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine

N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine (PubChem CID 168940529) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
PubChem CID168940529
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCC1C=CN=CC1
InChIInChI=1S/C11H20N2/c1-10(2)13(3)9-6-11-4-7-12-8-5-11/h4,7-8,10-11H,5-6,9H2,1-3H3
InChIKeyLGLSEOKQEKKJMS-UHFFFAOYSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
N-ethyl-N,3-dimethyl-3,4-dihydropyridin-4-amine
CID 70331366
1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine
CID 70967312
2-(3,4-dihydropyridin-4-yl)-N-ethylethanamine
CID 89305746
1-(3,4-dihydropyridin-4-yl)-N,N-dimethylmethanamine
CID 123177997
N,N,3-triethyl-3,4-dihydropyridin-5-amine
CID 123613286
N-[1-(4,4-dimethyl-2,3-dihydropyridin-1-yl)pentan-3-yl]ethanimine
CID 123658473
1-(3,4-Dihydropyridin-4-ylmethyl)azepane
CID 123659054
N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
CID 123731062
Butyl-ethylidene-(4-methylhex-1-enyl)azanium
CID 123794813
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
1-butyl-3-ethyl-4-methyl-6,7-dihydro-3H-1,5-diazonin-1-ium
CID 124029688

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine (CID 168940529) is N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCC1C=CN=CC1.
What is the InChIKey of N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine?
The InChIKey is LGLSEOKQEKKJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)13(3)9-6-11-4-7-12-8-5-11/h4,7-8,10-11H,5-6,9H2,1-3H3.
What are the key properties of N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine?
N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydropyridin-4-yl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 168940529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).