N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine

C10H17N — CID 130224675

IUPACN-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine
SMILESC=C(C)/C(C)=C(/C)N=C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)10(6)11-8(3)4/h1H2,2-6H3/b10-9-
InChIKeyQJMJHQXSFUXARC-KTKRTIGZSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds2

About N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine

N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine (PubChem CID 130224675) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine
PubChem CID130224675
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine
SMILESC=C(C)/C(C)=C(/C)N=C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)10(6)11-8(3)4/h1H2,2-6H3/b10-9-
InChIKeyQJMJHQXSFUXARC-KTKRTIGZSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
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)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine (CID 130224675) is N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine is C=C(C)/C(C)=C(/C)N=C(C)C.
What is the InChIKey of N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine?
The InChIKey is QJMJHQXSFUXARC-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9(5)10(6)11-8(3)4/h1H2,2-6H3/b10-9-.
What are the key properties of N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine?
N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine is sourced from PubChem (CID 130224675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).