1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine

C12H21N3 — CID 123595616

IUPAC1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine
SMILES[H]/N=C(\C)C1(C)CC=NC=C1C(CC)NC
InChIInChI=1S/C12H21N3/c1-5-11(14-4)10-8-15-7-6-12(10,3)9(2)13/h7-8,11,13-14H,5-6H2,1-4H3/b13-9+
InChIKeyVTSPZDSSYYJCGA-UKTHLTGXSA-N
MW207.32 g/mol
LogP2.39
Rot. Bonds4

About 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine

1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine (PubChem CID 123595616) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine
PubChem CID123595616
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine
SMILES[H]/N=C(\C)C1(C)CC=NC=C1C(CC)NC
InChIInChI=1S/C12H21N3/c1-5-11(14-4)10-8-15-7-6-12(10,3)9(2)13/h7-8,11,13-14H,5-6H2,1-4H3/b13-9+
InChIKeyVTSPZDSSYYJCGA-UKTHLTGXSA-N
XLogP2.39
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,3,4-Tetrahydropyridin-5-yl)-2,3,4,5-tetrahydropyridine
CID 91440913
1-cyclohexyl-N-(3,4-dihydropyridin-5-ylmethyl)propan-2-amine
CID 123878687
(2R)-3,3-dimethyl-2-[(2S)-2-methyl-1,2-dihydroazet-3-yl]-2H-azete
CID 129214163
1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 142884393
(2R,3R)-2,3-dimethyl-4-[(2S)-3-methyl-2,3-dihydroazet-2-yl]-2,3-dihydro-1H-pyrrole
CID 147410620
N,2,4-trimethyl-4-(2-methyl-3,4-dihydropyridin-5-yl)pentan-2-amine
CID 156255753
N-[(2-tert-butyl-3H-pyrrol-4-yl)methyl]-3-methylbutan-2-amine
CID 169968859
2-[3-ethyl-5-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]-2,4-dihydropyrrol-3-yl]-N-methylethanamine
CID 170210096
(2R,3S)-2,3,4-trimethyl-5-[(2S)-3-methyl-2,3-dihydroazet-2-yl]-1,2,3,4-tetrahydropyridine
CID 173692970
(2R,3R)-4-[(2R)-3,3-dimethyl-2H-azet-2-yl]-2,3-dimethyl-2,3-dihydro-1H-pyrrole
CID 173809492
(2R,3R,4R)-2,3,4-trimethyl-5-[(2S)-3-methyl-2,3-dihydroazet-2-yl]-1,2,3,4-tetrahydropyridine
CID 173863994
5-N,4-dimethyl-3-methylimino-2-(methyliminomethyl)hex-1-ene-1,5-diamine
CID 173950974

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine (CID 123595616) is 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine is [H]/N=C(\C)C1(C)CC=NC=C1C(CC)NC.
What is the InChIKey of 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine?
The InChIKey is VTSPZDSSYYJCGA-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11(14-4)10-8-15-7-6-12(10,3)9(2)13/h7-8,11,13-14H,5-6H2,1-4H3/b13-9+.
What are the key properties of 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine?
1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethanimidoyl-4-methyl-3H-pyridin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 123595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).