N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine

C12H21N3 — CID 176552543

IUPACN-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C(\N=C)N1CCC(CC)CC1
InChIInChI=1S/C12H21N3/c1-5-11-6-8-15(9-7-11)12(14-4)10(2)13-3/h11H,3-9H2,1-2H3/b12-10+
InChIKeyXYFJTEOANNYXKF-ZRDIBKRKSA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds4

About N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine

N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine (PubChem CID 176552543) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
PubChem CID176552543
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine
SMILESC=N/C(C)=C(\N=C)N1CCC(CC)CC1
InChIInChI=1S/C12H21N3/c1-5-11-6-8-15(9-7-11)12(14-4)10(2)13-3/h11H,3-9H2,1-2H3/b12-10+
InChIKeyXYFJTEOANNYXKF-ZRDIBKRKSA-N
XLogP2.70
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(4-ethylpiperidin-1-yl)-2-fluoro-2-(methylideneamino)ethenyl]methanimine
CID 176552841
N-[(E)-2-fluoro-2-(methylideneamino)-1-(4-methylpiperidin-1-yl)ethenyl]methanimine
CID 176553009
N-methyl-N-[[1-[1-(methylideneamino)ethenyl]piperidin-4-yl]methyl]propan-2-amine
CID 156711934
1-[(E)-2,3-dimethyl-1-(methylideneamino)but-1-enyl]-N,N-dimethylpiperidin-4-amine
CID 173985639
N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176552562
fluoromethane;N-[(Z)-1-(methylideneamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-1-en-2-yl]methanimine
CID 176553028

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine (CID 176552543) is N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine is C=N/C(C)=C(\N=C)N1CCC(CC)CC1.
What is the InChIKey of N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine?
The InChIKey is XYFJTEOANNYXKF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-11-6-8-15(9-7-11)12(14-4)10(2)13-3/h11H,3-9H2,1-2H3/b12-10+.
What are the key properties of N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine?
N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine has a molecular weight of 207.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-ethylpiperidin-1-yl)-1-(methylideneamino)prop-1-en-2-yl]methanimine is sourced from PubChem (CID 176552543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).