N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine

C9H15N — CID 123631905

IUPACN-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine
SMILESC/C=C\C(/N=C/C)=C(C)C
InChIInChI=1S/C9H15N/c1-5-7-9(8(3)4)10-6-2/h5-7H,1-4H3/b7-5-,10-6+
InChIKeySAKSQZAEVWKZFC-ZPRNNRRZSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds2

About N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine

N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine (PubChem CID 123631905) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine
PubChem CID123631905
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine
SMILESC/C=C\C(/N=C/C)=C(C)C
InChIInChI=1S/C9H15N/c1-5-7-9(8(3)4)10-6-2/h5-7H,1-4H3/b7-5-,10-6+
InChIKeySAKSQZAEVWKZFC-ZPRNNRRZSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine?
The IUPAC name of N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine (CID 123631905) is N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine.
What is the SMILES notation for N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine?
The canonical SMILES for N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine is C/C=C\C(/N=C/C)=C(C)C.
What is the InChIKey of N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine?
The InChIKey is SAKSQZAEVWKZFC-ZPRNNRRZSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(8(3)4)10-6-2/h5-7H,1-4H3/b7-5-,10-6+.
What are the key properties of N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine?
N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2-methylhexa-2,4-dien-3-yl]ethanimine is sourced from PubChem (CID 123631905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).