N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine

C12H22N2 — CID 123171240

IUPACN-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine
SMILESC=N/C(N=CC(C)C)=C(\CC)CCC
InChIInChI=1S/C12H22N2/c1-6-8-11(7-2)12(13-5)14-9-10(3)4/h9-10H,5-8H2,1-4H3/b12-11-,14-9?
InChIKeyPTLURFUMANRFNQ-OKBTWZQFSA-N
MW194.32 g/mol
LogP3.84
Rot. Bonds6

About N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine

N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine (PubChem CID 123171240) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine
PubChem CID123171240
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine
SMILESC=N/C(N=CC(C)C)=C(\CC)CCC
InChIInChI=1S/C12H22N2/c1-6-8-11(7-2)12(13-5)14-9-10(3)4/h9-10H,5-8H2,1-4H3/b12-11-,14-9?
InChIKeyPTLURFUMANRFNQ-OKBTWZQFSA-N
XLogP3.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine?
The IUPAC name of N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine (CID 123171240) is N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine?
The canonical SMILES for N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine is C=N/C(N=CC(C)C)=C(\CC)CCC.
What is the InChIKey of N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine?
The InChIKey is PTLURFUMANRFNQ-OKBTWZQFSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-8-11(7-2)12(13-5)14-9-10(3)4/h9-10H,5-8H2,1-4H3/b12-11-,14-9?.
What are the key properties of N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine?
N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine is sourced from PubChem (CID 123171240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).