N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine

C12H22N2 — CID 129238810

IUPACN-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine
SMILESCCCCNC1=C(CC)CC=CN1C
InChIInChI=1S/C12H22N2/c1-4-6-9-13-12-11(5-2)8-7-10-14(12)3/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyXVRPGNRMCOQVIR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds5

About N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine

N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine (PubChem CID 129238810) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine
PubChem CID129238810
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine
SMILESCCCCNC1=C(CC)CC=CN1C
InChIInChI=1S/C12H22N2/c1-4-6-9-13-12-11(5-2)8-7-10-14(12)3/h7,10,13H,4-6,8-9H2,1-3H3
InChIKeyXVRPGNRMCOQVIR-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,2,3,4-tetrahydropyridin-2-amine
CID 18612367
N,N-Dimethyl-1,2,3,4-tetrahydropyridin-2-amine
CID 45087271
(Z)-N'-methyl-N'-[1-(methylamino)ethenyl]but-1-ene-1,4-diamine
CID 89165147
6-(1,2-Dihydroimidazol-3-yl)-4-methylidenehexan-1-amine
CID 118037068
1-N-(2-ethylbut-1-enyl)-1-N',1-N'-dimethylprop-2-ene-1,1-diamine
CID 118946185
1-N-methyl-1-N'-[(1Z)-2-methylbuta-1,3-dienyl]-1-N'-propylethene-1,1-diamine
CID 130417814
5-ethenyl-N-methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134461848
5-ethenyl-N,N-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134510719
1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine
CID 137401213
3-Methyl-1,2,3,4,8,9,10,10a-octahydropyrimido[1,2-a]azepine
CID 139812380
1-N,1-N'-dibutylhex-1-ene-1,1-diamine
CID 139931007
2-(3,4-dihydro-2H-pyridin-1-yl)-1-(1,2,3,4-tetrahydropyridin-2-yl)-3,4-dihydro-2H-pyridine
CID 141388944

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine?
The IUPAC name of N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine (CID 129238810) is N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine.
What is the SMILES notation for N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine?
The canonical SMILES for N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine is CCCCNC1=C(CC)CC=CN1C.
What is the InChIKey of N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine?
The InChIKey is XVRPGNRMCOQVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-9-13-12-11(5-2)8-7-10-14(12)3/h7,10,13H,4-6,8-9H2,1-3H3.
What are the key properties of N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine?
N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine is sourced from PubChem (CID 129238810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).