N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine

C11H17N — CID 174337124

IUPACN-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
SMILESC=C/C(=C\C=C(\C)N=C)C(C)C
InChIInChI=1S/C11H17N/c1-6-11(9(2)3)8-7-10(4)12-5/h6-9H,1,5H2,2-4H3/b10-7-,11-8+
InChIKeyZBRGEEDXMQULAM-BDLVGCLISA-N
MW163.26 g/mol
LogP3.36
Rot. Bonds4

About N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine

N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine (PubChem CID 174337124) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
PubChem CID174337124
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine
SMILESC=C/C(=C\C=C(\C)N=C)C(C)C
InChIInChI=1S/C11H17N/c1-6-11(9(2)3)8-7-10(4)12-5/h6-9H,1,5H2,2-4H3/b10-7-,11-8+
InChIKeyZBRGEEDXMQULAM-BDLVGCLISA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.36
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

ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine
CID 143114260
(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene
CID 176935122
CID 174135156
CID 174135156
(3Z,5Z)-7-fluoro-3-propan-2-ylhepta-1,3,5-triene
CID 129119795
N-[(2Z,4E)-7,7,7-trifluoro-5,6-dimethylhepta-2,4-dien-2-yl]methanimine
CID 166894169
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
CID 167253000
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine (CID 174337124) is N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine is C=C/C(=C\C=C(\C)N=C)C(C)C.
What is the InChIKey of N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine?
The InChIKey is ZBRGEEDXMQULAM-BDLVGCLISA-N. The full InChI is InChI=1S/C11H17N/c1-6-11(9(2)3)8-7-10(4)12-5/h6-9H,1,5H2,2-4H3/b10-7-,11-8+.
What are the key properties of N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine?
N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-5-propan-2-ylhepta-2,4,6-trien-2-yl]methanimine is sourced from PubChem (CID 174337124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).