2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine

C12H21N — CID 89186754

IUPAC2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine
SMILESC/C=C\C=C/C(C)(C)/N=C/C(C)C
InChIInChI=1S/C12H21N/c1-6-7-8-9-12(4,5)13-10-11(2)3/h6-11H,1-5H3/b7-6-,9-8-,13-10+
InChIKeyFVEKATHCIOPNID-MTCKFSQTSA-N
MW179.31 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine

2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine (PubChem CID 89186754) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine
PubChem CID89186754
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine
SMILESC/C=C\C=C/C(C)(C)/N=C/C(C)C
InChIInChI=1S/C12H21N/c1-6-7-8-9-12(4,5)13-10-11(2)3/h6-11H,1-5H3/b7-6-,9-8-,13-10+
InChIKeyFVEKATHCIOPNID-MTCKFSQTSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.62
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 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine?
The IUPAC name of 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine (CID 89186754) is 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine.
What is the SMILES notation for 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine?
The canonical SMILES for 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine is C/C=C\C=C/C(C)(C)/N=C/C(C)C.
What is the InChIKey of 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine?
The InChIKey is FVEKATHCIOPNID-MTCKFSQTSA-N. The full InChI is InChI=1S/C12H21N/c1-6-7-8-9-12(4,5)13-10-11(2)3/h6-11H,1-5H3/b7-6-,9-8-,13-10+.
What are the key properties of 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine?
2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3Z,5Z)-2-methylhepta-3,5-dien-2-yl]propan-1-imine is sourced from PubChem (CID 89186754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).