(Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine

C11H18N2 — CID 166834622

IUPAC(Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine
SMILESC=C(C)NC/C=C\N=C(/C)C(=C)C
InChIInChI=1S/C11H18N2/c1-9(2)11(5)13-8-6-7-12-10(3)4/h6,8,12H,1,3,7H2,2,4-5H3/b8-6-,13-11+
InChIKeyFSGOXDQOALRAHV-OWEOKAMTSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds5

About (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine

(Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine (PubChem CID 166834622) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine
PubChem CID166834622
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine
SMILESC=C(C)NC/C=C\N=C(/C)C(=C)C
InChIInChI=1S/C11H18N2/c1-9(2)11(5)13-8-6-7-12-10(3)4/h6,8,12H,1,3,7H2,2,4-5H3/b8-6-,13-11+
InChIKeyFSGOXDQOALRAHV-OWEOKAMTSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
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-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine (CID 166834622) is (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine is C=C(C)NC/C=C\N=C(/C)C(=C)C.
What is the InChIKey of (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine?
The InChIKey is FSGOXDQOALRAHV-OWEOKAMTSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)11(5)13-8-6-7-12-10(3)4/h6,8,12H,1,3,7H2,2,4-5H3/b8-6-,13-11+.
What are the key properties of (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine?
(Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-methylbut-3-en-2-ylideneamino)-N-prop-1-en-2-ylprop-2-en-1-amine is sourced from PubChem (CID 166834622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).