N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine

C13H23N3 — CID 123262214

IUPACN-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
SMILESCCC/C(CNCC1CC=CC=N1)=N\CC
InChIInChI=1S/C13H23N3/c1-3-7-12(15-4-2)10-14-11-13-8-5-6-9-16-13/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3/b15-12+
InChIKeyYDEKEOMTCFQQPR-NTCAYCPXSA-N
MW221.35 g/mol
LogP2.24
Rot. Bonds7

About N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine

N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine (PubChem CID 123262214) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
PubChem CID123262214
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
SMILESCCC/C(CNCC1CC=CC=N1)=N\CC
InChIInChI=1S/C13H23N3/c1-3-7-12(15-4-2)10-14-11-13-8-5-6-9-16-13/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3/b15-12+
InChIKeyYDEKEOMTCFQQPR-NTCAYCPXSA-N
XLogP2.24
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,7,8,8a-Hexahydroquinoxaline
CID 91202052
1-[2-(2,3-Dihydropyridin-2-yl)ethyl]piperazine
CID 57000685
N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine
CID 70991342
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
2-Piperidin-2-yl-2,3-dihydropyridine
CID 91801827
1-imino-N-methylhept-5-en-2-amine
CID 123138426
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
CID 123215911
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588
N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
CID 123781711

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine?
The IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine (CID 123262214) is N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine.
What is the SMILES notation for N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine?
The canonical SMILES for N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine is CCC/C(CNCC1CC=CC=N1)=N\CC.
What is the InChIKey of N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine?
The InChIKey is YDEKEOMTCFQQPR-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-12(15-4-2)10-14-11-13-8-5-6-9-16-13/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3/b15-12+.
What are the key properties of N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine?
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine is sourced from PubChem (CID 123262214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).