N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine

C15H26N2 — CID 123508740

IUPACN-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
SMILESCCCC(/C=C\N=C\C=C(\C)CC)/C(C)=N/C
InChIInChI=1S/C15H26N2/c1-6-8-15(14(4)16-5)10-12-17-11-9-13(3)7-2/h9-12,15H,6-8H2,1-5H3/b12-10-,13-9-,16-14+,17-11+
InChIKeyMEDPIXBQIIAKQX-VNFLRQQWSA-N
MW234.39 g/mol
LogP4.43
Rot. Bonds7

About N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine

N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine (PubChem CID 123508740) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine.

Molecular Properties

Compound NameN-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
PubChem CID123508740
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
SMILESCCCC(/C=C\N=C\C=C(\C)CC)/C(C)=N/C
InChIInChI=1S/C15H26N2/c1-6-8-15(14(4)16-5)10-12-17-11-9-13(3)7-2/h9-12,15H,6-8H2,1-5H3/b12-10-,13-9-,16-14+,17-11+
InChIKeyMEDPIXBQIIAKQX-VNFLRQQWSA-N
XLogP4.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine with MolForge

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Related Compounds

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CID 67560504
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
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CID 68332943
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7-ethyl-5-methyl-3-propan-2-yl-4H-azepine
CID 90958309
8-Ethyl-3-propan-2-yl-4,5-dihydroazocine
CID 91102431
N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
CID 91475759
(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
CID 91514458
(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 91866613
(3Z,5Z,7Z)-2,3-di(propan-2-yl)azocine
CID 91866614

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine?
The IUPAC name of N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine (CID 123508740) is N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine.
What is the SMILES notation for N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine?
The canonical SMILES for N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine is CCCC(/C=C\N=C\C=C(\C)CC)/C(C)=N/C.
What is the InChIKey of N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine?
The InChIKey is MEDPIXBQIIAKQX-VNFLRQQWSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-8-15(14(4)16-5)10-12-17-11-9-13(3)7-2/h9-12,15H,6-8H2,1-5H3/b12-10-,13-9-,16-14+,17-11+.
What are the key properties of N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine?
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine has a molecular weight of 234.39 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine is sourced from PubChem (CID 123508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).