N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine

C10H18N2 — CID 143787035

IUPACN-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1=NCCC=C1
InChIInChI=1S/C10H18N2/c1-3-12(4-2)9-10-7-5-6-8-11-10/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyMLQJXNVURPSBGM-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.73
Rot. Bonds4

About N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine

N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine (PubChem CID 143787035) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine
PubChem CID143787035
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1=NCCC=C1
InChIInChI=1S/C10H18N2/c1-3-12(4-2)9-10-7-5-6-8-11-10/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyMLQJXNVURPSBGM-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
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3,6-Bis-sec-butylimino-cyclohexa-1,4-diene
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4-diazo-N,N-dipropylcyclohexa-2,5-dien-1-amine
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Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
N,N-dibutyl-4-diazocyclohexa-2,5-dien-1-amine
CID 21470631
3,6-Bis-isopropylimino-cyclohexa-1,4-diene
CID 22617218
Cyclohexa-2,5-dien-1-ylidene(dimethyl)azanium
CID 23064131
1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine;ethane
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CID 57045078

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine?
The IUPAC name of N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine (CID 143787035) is N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine is CCN(CC)CC1=NCCC=C1.
What is the InChIKey of N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine?
The InChIKey is MLQJXNVURPSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-12(4-2)9-10-7-5-6-8-11-10/h5,7H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine?
N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine has a molecular weight of 166.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-6-ylmethyl)-N-ethylethanamine is sourced from PubChem (CID 143787035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).