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

C9H17N3 — CID 137062013

IUPAC2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
SMILESCCNCC/N=C1\CCC=CN1
InChIInChI=1S/C9H17N3/c1-2-10-7-8-12-9-5-3-4-6-11-9/h4,6,10H,2-3,5,7-8H2,1H3,(H,11,12)
InChIKeyFYDUGGOLCLJCJT-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.89
Rot. Bonds4

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

2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine (PubChem CID 137062013) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
PubChem CID137062013
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
SMILESCCNCC/N=C1\CCC=CN1
InChIInChI=1S/C9H17N3/c1-2-10-7-8-12-9-5-3-4-6-11-9/h4,6,10H,2-3,5,7-8H2,1H3,(H,11,12)
InChIKeyFYDUGGOLCLJCJT-UHFFFAOYSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.89
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

1,2-Dihydroazete;1-ethyl-3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium
CID 67764290
1-(3,4-Dihydropyridin-2-yl)piperazine
CID 68152821
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
N-[N-(3-iminopropyl)-C-methylcarbonimidoyl]-2-(methylamino)-N'-[(Z)-pent-1-enyl]propanimidamide
CID 132109296
N-propan-2-yl-3,4-dihydro-1H-pyridin-2-imine
CID 136010361
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-methylethanamine
CID 137077075
2-(methylamino)-N'-[(E)-prop-1-enyl]butanimidamide
CID 141155166
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324
1-(3-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 142349480

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine (CID 137062013) is 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine is CCNCC/N=C1\CCC=CN1.
What is the InChIKey of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine?
The InChIKey is FYDUGGOLCLJCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-10-7-8-12-9-5-3-4-6-11-9/h4,6,10H,2-3,5,7-8H2,1H3,(H,11,12).
What are the key properties of 2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine?
2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine has a molecular weight of 167.26 g/mol, XLogP of 0.89, 4 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-ethylethanamine is sourced from PubChem (CID 137062013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).