(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

C11H22N2 — CID 102023638

IUPAC(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)NC(C)C
InChIInChI=1S/C11H22N2/c1-8(2)12-10(5)7-11(6)13-9(3)4/h7-9,12H,1-6H3/b10-7-,13-11+
InChIKeyPOQOWGAHVMCAJX-XQALPWGSSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds4

About (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 102023638) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID102023638
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)NC(C)C
InChIInChI=1S/C11H22N2/c1-8(2)12-10(5)7-11(6)13-9(3)4/h7-9,12H,1-6H3/b10-7-,13-11+
InChIKeyPOQOWGAHVMCAJX-XQALPWGSSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (CID 102023638) is (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is C/C(=C/C(C)=N/C(C)C)NC(C)C.
What is the InChIKey of (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is POQOWGAHVMCAJX-XQALPWGSSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)12-10(5)7-11(6)13-9(3)4/h7-9,12H,1-6H3/b10-7-,13-11+.
What are the key properties of (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 102023638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).