4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine

C11H21N3 — CID 91308930

IUPAC4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
SMILESCCCN(CC)CC1=CC=NC(N)C1
InChIInChI=1S/C11H21N3/c1-3-7-14(4-2)9-10-5-6-13-11(12)8-10/h5-6,11H,3-4,7-9,12H2,1-2H3
InChIKeyNFZMZKKWFDIMJR-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.40
Rot. Bonds5

About 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine

4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine (PubChem CID 91308930) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
PubChem CID91308930
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine
SMILESCCCN(CC)CC1=CC=NC(N)C1
InChIInChI=1S/C11H21N3/c1-3-7-14(4-2)9-10-5-6-13-11(12)8-10/h5-6,11H,3-4,7-9,12H2,1-2H3
InChIKeyNFZMZKKWFDIMJR-UHFFFAOYSA-N
XLogP1.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydropyridin-4-ylmethyl)piperazine
CID 69744774
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine
CID 123777305
4-Methyl-2,3-dihydropyridin-2-amine
CID 124005381
N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
CID 143003407
(E)-N,3-dimethyl-5-methyliminopent-3-en-1-amine
CID 143115309
(E)-2-ethyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 143759728
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]propan-2-amine
CID 156187529
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)butan-1-imine
CID 167480682
N'-ethyl-N'-[(E)-2-ethyl-4-ethyliminobut-2-enyl]-N-methylethane-1,2-diamine
CID 142339777
1-[5-(C,N-dimethylcarbonimidoyl)-1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl]ethanamine
CID 172566545

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine?
The IUPAC name of 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine (CID 91308930) is 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine?
The canonical SMILES for 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine is CCCN(CC)CC1=CC=NC(N)C1.
What is the InChIKey of 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine?
The InChIKey is NFZMZKKWFDIMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-7-14(4-2)9-10-5-6-13-11(12)8-10/h5-6,11H,3-4,7-9,12H2,1-2H3.
What are the key properties of 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine?
4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propyl)amino]methyl]-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 91308930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).