N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine

C10H18N2 — CID 142516578

IUPACN-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine
SMILESC=CC(C)N/N=C\CC=C(C)C
InChIInChI=1S/C10H18N2/c1-5-10(4)12-11-8-6-7-9(2)3/h5,7-8,10,12H,1,6H2,2-4H3/b11-8-
InChIKeyYDENTUZTTBJKKN-FLIBITNWSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds5

About N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine

N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine (PubChem CID 142516578) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine
PubChem CID142516578
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine
SMILESC=CC(C)N/N=C\CC=C(C)C
InChIInChI=1S/C10H18N2/c1-5-10(4)12-11-8-6-7-9(2)3/h5,7-8,10,12H,1,6H2,2-4H3/b11-8-
InChIKeyYDENTUZTTBJKKN-FLIBITNWSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine?
The IUPAC name of N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine (CID 142516578) is N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine.
What is the SMILES notation for N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine?
The canonical SMILES for N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine is C=CC(C)N/N=C\CC=C(C)C.
What is the InChIKey of N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine?
The InChIKey is YDENTUZTTBJKKN-FLIBITNWSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-10(4)12-11-8-6-7-9(2)3/h5,7-8,10,12H,1,6H2,2-4H3/b11-8-.
What are the key properties of N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine?
N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-3-enylideneamino]but-3-en-2-amine is sourced from PubChem (CID 142516578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).