(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine

C11H17N — CID 142179771

IUPAC(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine
SMILESC=CN(C=C(C)C)C(=C)/C=C\C
InChIInChI=1S/C11H17N/c1-6-8-11(5)12(7-2)9-10(3)4/h6-9H,2,5H2,1,3-4H3/b8-6-
InChIKeyDXIKQQAAEYOSPQ-VURMDHGXSA-N
MW163.26 g/mol
LogP3.45
Rot. Bonds4

About (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine

(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine (PubChem CID 142179771) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine
PubChem CID142179771
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine
SMILESC=CN(C=C(C)C)C(=C)/C=C\C
InChIInChI=1S/C11H17N/c1-6-8-11(5)12(7-2)9-10(3)4/h6-9H,2,5H2,1,3-4H3/b8-6-
InChIKeyDXIKQQAAEYOSPQ-VURMDHGXSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine (CID 142179771) is (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine is C=CN(C=C(C)C)C(=C)/C=C\C.
What is the InChIKey of (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine?
The InChIKey is DXIKQQAAEYOSPQ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H17N/c1-6-8-11(5)12(7-2)9-10(3)4/h6-9H,2,5H2,1,3-4H3/b8-6-.
What are the key properties of (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine?
(3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine has a molecular weight of 163.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-N-(2-methylprop-1-enyl)penta-1,3-dien-2-amine is sourced from PubChem (CID 142179771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).