(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine

C13H25N — CID 87978024

IUPAC(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine
SMILESCC(C)/C=C(\C=N\C(C)C)CC(C)C
InChIInChI=1S/C13H25N/c1-10(2)7-13(8-11(3)4)9-14-12(5)6/h7,9-12H,8H2,1-6H3/b13-7-,14-9+
InChIKeyXCSTWRRFHHJDED-MHIRLISYSA-N
MW195.35 g/mol
LogP4.09
Rot. Bonds5

About (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine

(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine (PubChem CID 87978024) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine
PubChem CID87978024
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine
SMILESCC(C)/C=C(\C=N\C(C)C)CC(C)C
InChIInChI=1S/C13H25N/c1-10(2)7-13(8-11(3)4)9-14-12(5)6/h7,9-12H,8H2,1-6H3/b13-7-,14-9+
InChIKeyXCSTWRRFHHJDED-MHIRLISYSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine?
The IUPAC name of (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine (CID 87978024) is (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine.
What is the SMILES notation for (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine?
The canonical SMILES for (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine is CC(C)/C=C(\C=N\C(C)C)CC(C)C.
What is the InChIKey of (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine?
The InChIKey is XCSTWRRFHHJDED-MHIRLISYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)7-13(8-11(3)4)9-14-12(5)6/h7,9-12H,8H2,1-6H3/b13-7-,14-9+.
What are the key properties of (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine?
(Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine has a molecular weight of 195.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-(2-methylpropyl)-N-propan-2-ylpent-2-en-1-imine is sourced from PubChem (CID 87978024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).