N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine

C10H18N2 — CID 143866626

IUPACN-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1C=NC=CC1
InChIInChI=1S/C10H18N2/c1-3-12(4-2)9-10-6-5-7-11-8-10/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyCMIWDPLEWGDJMB-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds4

About N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine

N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine (PubChem CID 143866626) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine
PubChem CID143866626
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1C=NC=CC1
InChIInChI=1S/C10H18N2/c1-3-12(4-2)9-10-6-5-7-11-8-10/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeyCMIWDPLEWGDJMB-UHFFFAOYSA-N
XLogP1.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-Methyl-3,3a-dihydropyrrolo[3,4-c]pyridine
CID 89054811
N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine
CID 89141803
butyl-[(Z)-3,4-dimethylpent-1-enyl]-ethylideneazanium
CID 89659153
1-(3,4-dihydropyridin-4-yl)-N,N-dimethylmethanamine
CID 123177997
Butyl-(3,4-dimethylpent-1-enyl)-ethylideneazanium
CID 123189357
4-(Pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
CID 123308221
N,N,2-trimethyl-5-(propan-2-ylideneamino)pent-4-en-1-amine
CID 123324348
Ethylidene-methyl-(4-methylpent-1-enyl)azanium
CID 123393465
N,N,3-triethyl-3,4-dihydropyridin-5-amine
CID 123613286
1-(3,4-Dihydropyridin-4-ylmethyl)azepane
CID 123659054

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine?
The IUPAC name of N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine (CID 143866626) is N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine is CCN(CC)CC1C=NC=CC1.
What is the InChIKey of N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine?
The InChIKey is CMIWDPLEWGDJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-12(4-2)9-10-6-5-7-11-8-10/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine?
N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine has a molecular weight of 166.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-3-ylmethyl)-N-ethylethanamine is sourced from PubChem (CID 143866626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).