N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine

C13H23N3 — CID 143586132

IUPACN-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine
SMILESC=C/N=C(\C=C)CNC1CCN(CC)CC1
InChIInChI=1S/C13H23N3/c1-4-12(14-5-2)11-15-13-7-9-16(6-3)10-8-13/h4-5,13,15H,1-2,6-11H2,3H3/b14-12+
InChIKeyLDLNTFOPWJRKIB-WYMLVPIESA-N
MW221.35 g/mol
LogP1.83
Rot. Bonds6

About N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine

N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine (PubChem CID 143586132) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine
PubChem CID143586132
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine
SMILESC=C/N=C(\C=C)CNC1CCN(CC)CC1
InChIInChI=1S/C13H23N3/c1-4-12(14-5-2)11-15-13-7-9-16(6-3)10-8-13/h4-5,13,15H,1-2,6-11H2,3H3/b14-12+
InChIKeyLDLNTFOPWJRKIB-WYMLVPIESA-N
XLogP1.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.83
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

(Z)-3-(3,3-difluoropiperidin-4-yl)iminobut-1-en-1-amine
CID 164920887
3-(1-Ethyl-3-fluoropiperidin-4-yl)iminobut-1-ene-1,2-diamine
CID 173910400
N-[(E)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]prop-1-enyl]but-3-en-2-imine
CID 88944973
ethane;(1Z)-3-(4-methylpiperidin-1-ium-1-ylidene)penta-1,4-dien-1-amine
CID 143046166
ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163852
2-methylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143498553
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 143782130
N-[(Z)-but-1-enyl]-N-methylpiperidin-4-amine
CID 144349542
but-3-en-2-imine;ethane;N-methylpiperidin-4-amine
CID 145006356
N-[(Z)-but-1-enyl]-1-methylpiperidin-4-amine
CID 146359782
3-(1-Methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153153367
ethane;(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153567217

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine (CID 143586132) is N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine is C=C/N=C(\C=C)CNC1CCN(CC)CC1.
What is the InChIKey of N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine?
The InChIKey is LDLNTFOPWJRKIB-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12(14-5-2)11-15-13-7-9-16(6-3)10-8-13/h4-5,13,15H,1-2,6-11H2,3H3/b14-12+.
What are the key properties of N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine?
N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyliminobut-3-enyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 143586132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).