N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine

C10H15N — CID 126637214

IUPACN-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine
SMILESC=C/C=C(C)/C=C\N=C(C)C
InChIInChI=1S/C10H15N/c1-5-6-10(4)7-8-11-9(2)3/h5-8H,1H2,2-4H3/b8-7-,10-6+
InChIKeyRBKZDOYFQAGBKN-SDHBEMGISA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine

N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine (PubChem CID 126637214) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine
PubChem CID126637214
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine
SMILESC=C/C=C(C)/C=C\N=C(C)C
InChIInChI=1S/C10H15N/c1-5-6-10(4)7-8-11-9(2)3/h5-8H,1H2,2-4H3/b8-7-,10-6+
InChIKeyRBKZDOYFQAGBKN-SDHBEMGISA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine?
The IUPAC name of N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine (CID 126637214) is N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine.
What is the SMILES notation for N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine?
The canonical SMILES for N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine is C=C/C=C(C)/C=C\N=C(C)C.
What is the InChIKey of N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine?
The InChIKey is RBKZDOYFQAGBKN-SDHBEMGISA-N. The full InChI is InChI=1S/C10H15N/c1-5-6-10(4)7-8-11-9(2)3/h5-8H,1H2,2-4H3/b8-7-,10-6+.
What are the key properties of N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine?
N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-methylhexa-1,3,5-trienyl]propan-2-imine is sourced from PubChem (CID 126637214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).