N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine

C10H17N — CID 129194065

IUPACN-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(8(2)3)7-9(4)11-5/h6-8H,5H2,1-4H3/b9-7-,10-6+
InChIKeyFEENKBHXNGKRRX-ODUODFHUSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds3

About N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine (PubChem CID 129194065) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine
PubChem CID129194065
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(8(2)3)7-9(4)11-5/h6-8H,5H2,1-4H3/b9-7-,10-6+
InChIKeyFEENKBHXNGKRRX-ODUODFHUSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine (CID 129194065) is N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C/C)C(C)C.
What is the InChIKey of N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is FEENKBHXNGKRRX-ODUODFHUSA-N. The full InChI is InChI=1S/C10H17N/c1-6-10(8(2)3)7-9(4)11-5/h6-8H,5H2,1-4H3/b9-7-,10-6+.
What are the key properties of N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 129194065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).