methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine

C14H36N2 — CID 172950111

IUPACmethane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
SMILESC.C.C.C.CCC/C(C)=N/N=C(\C)CCC
InChIInChI=1S/C10H20N2.4CH4/c1-5-7-9(3)11-12-10(4)8-6-2;;;;/h5-8H2,1-4H3;4*1H4/b11-9+,12-10+;;;;
InChIKeyOCYRQXWLEZJCFP-GETIWUENSA-N
MW232.46 g/mol
LogP5.97
Rot. Bonds5

About methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine

methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine (PubChem CID 172950111) has the molecular formula C14H36N2 and a molecular weight of 232.46 g/mol. Its IUPAC name is methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine.

Molecular Properties

Compound Namemethane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
PubChem CID172950111
Molecular FormulaC14H36N2
Molecular Weight232.46 g/mol
Exact Mass232.29
IUPAC Namemethane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
SMILESC.C.C.C.CCC/C(C)=N/N=C(\C)CCC
InChIInChI=1S/C10H20N2.4CH4/c1-5-7-9(3)11-12-10(4)8-6-2;;;;/h5-8H2,1-4H3;4*1H4/b11-9+,12-10+;;;;
InChIKeyOCYRQXWLEZJCFP-GETIWUENSA-N
XLogP5.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
CID 170442301
(Z)-N-[(Z)-ethylideneamino]pentan-2-imine
CID 130369959
2-(nonan-2-ylideneamino)guanidine
CID 76873061
methanimine;N-[(Z)-pentan-2-ylideneamino]methanamine
CID 153389216
(E)-4,5-dimethyloct-4-ene
CID 12714364
methane;hexakis(2-methylpent-1-ene)
CID 175346690
N-(propan-2-ylideneamino)butan-2-imine
CID 59062083
(2E)-2-[(Z)-pentan-2-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137100903
N-(2-methylpentyl)pentan-2-imine
CID 123573423
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
CID 142099496
N-(3-ethyl-2-methylpentan-3-yl)pentan-2-imine
CID 166671410
2-(pentan-2-ylideneamino)oxyacetic acid
CID 77013180

Frequently Asked Questions

What is the IUPAC name of methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
The IUPAC name of methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine (CID 172950111) is methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine.
What is the SMILES notation for methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
The canonical SMILES for methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine is C.C.C.C.CCC/C(C)=N/N=C(\C)CCC.
What is the InChIKey of methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
The InChIKey is OCYRQXWLEZJCFP-GETIWUENSA-N. The full InChI is InChI=1S/C10H20N2.4CH4/c1-5-7-9(3)11-12-10(4)8-6-2;;;;/h5-8H2,1-4H3;4*1H4/b11-9+,12-10+;;;;.
What are the key properties of methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine?
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine has a molecular weight of 232.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine is sourced from PubChem (CID 172950111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).