(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine

C10H18N2 — CID 134299504

IUPAC(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(N)=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-7-8(9(11)12-5)10(2,3)4/h6-7H,5,11H2,1-4H3/b7-6-,9-8+
InChIKeyLNWNGVCBUAQIKB-NMMTYZSQSA-N
MW166.27 g/mol
LogP2.48
Rot. Bonds2

About (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine

(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 134299504) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID134299504
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(N)=C(\C=C/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-7-8(9(11)12-5)10(2,3)4/h6-7H,5,11H2,1-4H3/b7-6-,9-8+
InChIKeyLNWNGVCBUAQIKB-NMMTYZSQSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine (CID 134299504) is (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(N)=C(\C=C/C)C(C)(C)C.
What is the InChIKey of (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is LNWNGVCBUAQIKB-NMMTYZSQSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-7-8(9(11)12-5)10(2,3)4/h6-7H,5,11H2,1-4H3/b7-6-,9-8+.
What are the key properties of (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
(1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 134299504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).