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

C10H18N2 — CID 155138134

IUPAC(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/C)NC(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-7-8-9(11-5)12-10(2,3)4/h6-8,12H,5H2,1-4H3/b7-6-,9-8+
InChIKeyYHTSAMWGHYFOQR-NMMTYZSQSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds3

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

(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 155138134) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID155138134
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/C)NC(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-7-8-9(11-5)12-10(2,3)4/h6-8,12H,5H2,1-4H3/b7-6-,9-8+
InChIKeyYHTSAMWGHYFOQR-NMMTYZSQSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.49
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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine (CID 155138134) is (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(=C\C=C/C)NC(C)(C)C.
What is the InChIKey of (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is YHTSAMWGHYFOQR-NMMTYZSQSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-7-8-9(11-5)12-10(2,3)4/h6-8,12H,5H2,1-4H3/b7-6-,9-8+.
What are the key properties of (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine?
(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 155138134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).