2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine

C8H15N3 — CID 137077075

IUPAC2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine
SMILESCNCC/N=C1\CCC=CN1
InChIInChI=1S/C8H15N3/c1-9-6-7-11-8-4-2-3-5-10-8/h3,5,9H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyHUDLKUIGFDQXTB-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.50
Rot. Bonds3

About 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine

2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine (PubChem CID 137077075) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine
PubChem CID137077075
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine
SMILESCNCC/N=C1\CCC=CN1
InChIInChI=1S/C8H15N3/c1-9-6-7-11-8-4-2-3-5-10-8/h3,5,9H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyHUDLKUIGFDQXTB-UHFFFAOYSA-N
XLogP0.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-Dihydropyridin-2-yl)piperazine
CID 68152821
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
2-Propyl-1,4-dihydropyrimidine
CID 91510032
(8E)-2-methyl-6,7-dihydro-1H-1,3-diazonine
CID 123300903
N-methyl-1,3-dihydropyrrol-2-imine
CID 135829641
N-propan-2-yl-3,4-dihydro-1H-pyridin-2-imine
CID 136010361
N-ethyl-1,3-dihydropyrrol-2-imine
CID 136108979
N-propyl-1,3-dihydropyrrol-2-imine
CID 136165712
N-pentyl-1,3-dihydropyrrol-2-imine
CID 136470177
N-ethyl-3,4-dihydro-1H-pyridin-2-imine
CID 136962811
2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
CID 137062013
3-ethyl-N-methyl-1,3-dihydropyrrol-2-imine
CID 137291308

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine (CID 137077075) is 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine is CNCC/N=C1\CCC=CN1.
What is the InChIKey of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine?
The InChIKey is HUDLKUIGFDQXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-9-6-7-11-8-4-2-3-5-10-8/h3,5,9H,2,4,6-7H2,1H3,(H,10,11).
What are the key properties of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine?
2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-methylethanamine is sourced from PubChem (CID 137077075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).