N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine

C11H19N — CID 142099496

IUPACN-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
SMILESC/C=C\C(=C\C)\N=C(/C)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)12-11(7-3)9-6-2/h6-7,9H,5,8H2,1-4H3/b9-6-,11-7-,12-10+
InChIKeyGFIXKVPEBGZONO-ABEILSIJSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine

N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine (PubChem CID 142099496) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
PubChem CID142099496
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
SMILESC/C=C\C(=C\C)\N=C(/C)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)12-11(7-3)9-6-2/h6-7,9H,5,8H2,1-4H3/b9-6-,11-7-,12-10+
InChIKeyGFIXKVPEBGZONO-ABEILSIJSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine;3-hydroxy-4,4,6-trimethyl-5-oxononanal;(E)-5-methylnon-3-ene
CID 142177242
ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
CID 153342646
N-propylpent-3-en-2-imine
CID 123895305
(Z)-N-[(Z)-ethylideneamino]pentan-2-imine
CID 130369959
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
but-2-enoic acid;pentan-2-one
CID 175320789
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
ethane;(2Z,4Z)-4-methylocta-2,4-diene
CID 176669998
ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
CID 143682761
(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413
N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
CID 135210367

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine?
The IUPAC name of N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine (CID 142099496) is N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine.
What is the SMILES notation for N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine?
The canonical SMILES for N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine is C/C=C\C(=C\C)\N=C(/C)CCC.
What is the InChIKey of N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine?
The InChIKey is GFIXKVPEBGZONO-ABEILSIJSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10(4)12-11(7-3)9-6-2/h6-7,9H,5,8H2,1-4H3/b9-6-,11-7-,12-10+.
What are the key properties of N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine?
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine is sourced from PubChem (CID 142099496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).