(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine

C11H17N — CID 145370956

IUPAC(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine
SMILESC#C/C(=C(C)\C(C)=N\C)C(C)C
InChIInChI=1S/C11H17N/c1-7-11(8(2)3)9(4)10(5)12-6/h1,8H,2-6H3/b11-9+,12-10+
InChIKeyKITMHHMLORYEEZ-WGDLNXRISA-N
MW163.26 g/mol
LogP2.68
Rot. Bonds2

About (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine

(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine (PubChem CID 145370956) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine
PubChem CID145370956
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine
SMILESC#C/C(=C(C)\C(C)=N\C)C(C)C
InChIInChI=1S/C11H17N/c1-7-11(8(2)3)9(4)10(5)12-6/h1,8H,2-6H3/b11-9+,12-10+
InChIKeyKITMHHMLORYEEZ-WGDLNXRISA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine?
The IUPAC name of (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine (CID 145370956) is (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine.
What is the SMILES notation for (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine?
The canonical SMILES for (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine is C#C/C(=C(C)\C(C)=N\C)C(C)C.
What is the InChIKey of (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine?
The InChIKey is KITMHHMLORYEEZ-WGDLNXRISA-N. The full InChI is InChI=1S/C11H17N/c1-7-11(8(2)3)9(4)10(5)12-6/h1,8H,2-6H3/b11-9+,12-10+.
What are the key properties of (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine?
(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine has a molecular weight of 163.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine is sourced from PubChem (CID 145370956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).