N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine

C13H23N — CID 138616343

IUPACN-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine
SMILESC=C(CC)/C(=C(/C)N=C(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-8-11(6)13(9(2)3)12(7)14-10(4)5/h9H,6,8H2,1-5,7H3/b13-12-
InChIKeyKWQMXQKFQWRVHE-SEYXRHQNSA-N
MW193.33 g/mol
LogP4.36
Rot. Bonds4

About N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine

N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine (PubChem CID 138616343) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine
PubChem CID138616343
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine
SMILESC=C(CC)/C(=C(/C)N=C(C)C)C(C)C
InChIInChI=1S/C13H23N/c1-8-11(6)13(9(2)3)12(7)14-10(4)5/h9H,6,8H2,1-5,7H3/b13-12-
InChIKeyKWQMXQKFQWRVHE-SEYXRHQNSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.36
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-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine?
The IUPAC name of N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine (CID 138616343) is N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine.
What is the SMILES notation for N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine?
The canonical SMILES for N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine is C=C(CC)/C(=C(/C)N=C(C)C)C(C)C.
What is the InChIKey of N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine?
The InChIKey is KWQMXQKFQWRVHE-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H23N/c1-8-11(6)13(9(2)3)12(7)14-10(4)5/h9H,6,8H2,1-5,7H3/b13-12-.
What are the key properties of N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine?
N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylidene-3-propan-2-ylhex-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 138616343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).