N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine

C9H15N — CID 134224324

IUPACN-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine
SMILESC=C/C=C(\C)CN=C(C)C
InChIInChI=1S/C9H15N/c1-5-6-9(4)7-10-8(2)3/h5-6H,1,7H2,2-4H3/b9-6+
InChIKeyDCDPBUVNUMXSAR-RMKNXTFCSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine

N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine (PubChem CID 134224324) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine
PubChem CID134224324
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine
SMILESC=C/C=C(\C)CN=C(C)C
InChIInChI=1S/C9H15N/c1-5-6-9(4)7-10-8(2)3/h5-6H,1,7H2,2-4H3/b9-6+
InChIKeyDCDPBUVNUMXSAR-RMKNXTFCSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
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

CID 54292695
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CID 89289620
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CID 91609276
CID 91609276
CID 118552740
CID 118552740
CID 123470276
CID 123470276
CID 123631905
CID 123631905
CID 123748953
CID 123748953
CID 123820487
CID 123820487
CID 124026439
CID 124026439
CID 126637190
CID 126637190
CID 126637306
CID 126637306
CID 139430730
CID 139430730

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine?
The IUPAC name of N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine (CID 134224324) is N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine.
What is the SMILES notation for N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine?
The canonical SMILES for N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine is C=C/C=C(\C)CN=C(C)C.
What is the InChIKey of N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine?
The InChIKey is DCDPBUVNUMXSAR-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-9(4)7-10-8(2)3/h5-6H,1,7H2,2-4H3/b9-6+.
What are the key properties of N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine?
N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-methylpenta-2,4-dienyl]propan-2-imine is sourced from PubChem (CID 134224324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).