(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine

C10H17N — CID 166998459

IUPAC(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
SMILES[H]/N=C/C(C(=C)C)=C(\C)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)10(6-11)8(3)4/h6-7,11H,3H2,1-2,4-5H3/b10-9-,11-6+
InChIKeyYRLPACHJCVXRDN-AOXGIJKRSA-N
MW151.25 g/mol
LogP3.18
Rot. Bonds3

About (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine

(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine (PubChem CID 166998459) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
PubChem CID166998459
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
SMILES[H]/N=C/C(C(=C)C)=C(\C)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)9(5)10(6-11)8(3)4/h6-7,11H,3H2,1-2,4-5H3/b10-9-,11-6+
InChIKeyYRLPACHJCVXRDN-AOXGIJKRSA-N
XLogP3.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
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

methanimine;2-methylprop-2-en-1-imine
CID 145055297
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium
CID 145192802
4-amino-5-methanimidoyl-7-methyloct-4-ene-2,6-dione
CID 173498344
(E)-5-hydroxy-4-methanimidoyl-2,6-dimethylhept-4-en-3-one
CID 135746746
methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
(Z)-2-methanimidoyl-3-(2-methylprop-2-enoxy)-3-(propan-2-ylamino)prop-2-enamide
CID 163605902
2,4-dimethylpent-1-en-3-imine
CID 91148130
(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
CID 176949454
2,4-dimethylpent-1-en-3-imine;ethane
CID 156721750
(3E)-2,4,5-trimethylhexa-1,3-dien-3-ol
CID 144743244
2-methylpropane;prop-1-en-2-amine
CID 174893746

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine?
The IUPAC name of (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine (CID 166998459) is (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine?
The canonical SMILES for (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine is [H]/N=C/C(C(=C)C)=C(\C)C(C)C.
What is the InChIKey of (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine?
The InChIKey is YRLPACHJCVXRDN-AOXGIJKRSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)9(5)10(6-11)8(3)4/h6-7,11H,3H2,1-2,4-5H3/b10-9-,11-6+.
What are the key properties of (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine?
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine is sourced from PubChem (CID 166998459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).