(Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine

C11H22N2 — CID 139550474

IUPAC(Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine
SMILESCC(C)=N/C(=C\NC(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)11(13-10(5)6)7-12-9(3)4/h7-9,12H,1-6H3/b11-7-
InChIKeyUBBRTJSPYJHEHJ-XFFZJAGNSA-N
MW182.31 g/mol
LogP2.96
Rot. Bonds4

About (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine

(Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine (PubChem CID 139550474) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine
PubChem CID139550474
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine
SMILESCC(C)=N/C(=C\NC(C)C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)11(13-10(5)6)7-12-9(3)4/h7-9,12H,1-6H3/b11-7-
InChIKeyUBBRTJSPYJHEHJ-XFFZJAGNSA-N
XLogP2.96
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 ≤ 52.96
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)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine (CID 139550474) is (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine is CC(C)=N/C(=C\NC(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine?
The InChIKey is UBBRTJSPYJHEHJ-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)11(13-10(5)6)7-12-9(3)4/h7-9,12H,1-6H3/b11-7-.
What are the key properties of (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine?
(Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N-propan-2-yl-2-(propan-2-ylideneamino)but-1-en-1-amine is sourced from PubChem (CID 139550474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).