(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine

C11H19N — CID 155044261

IUPAC(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\NC(C)C=C)C(C)C
InChIInChI=1S/C11H19N/c1-6-8-11(9(3)4)12-10(5)7-2/h6-10,12H,1-2H2,3-5H3/b11-8-
InChIKeyNYXFCJNCEUBSJX-FLIBITNWSA-N
MW165.28 g/mol
LogP2.88
Rot. Bonds5

About (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine

(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine (PubChem CID 155044261) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine
PubChem CID155044261
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\NC(C)C=C)C(C)C
InChIInChI=1S/C11H19N/c1-6-8-11(9(3)4)12-10(5)7-2/h6-10,12H,1-2H2,3-5H3/b11-8-
InChIKeyNYXFCJNCEUBSJX-FLIBITNWSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine (CID 155044261) is (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine is C=C/C=C(\NC(C)C=C)C(C)C.
What is the InChIKey of (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine?
The InChIKey is NYXFCJNCEUBSJX-FLIBITNWSA-N. The full InChI is InChI=1S/C11H19N/c1-6-8-11(9(3)4)12-10(5)7-2/h6-10,12H,1-2H2,3-5H3/b11-8-.
What are the key properties of (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine?
(3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-but-3-en-2-yl-2-methylhexa-3,5-dien-3-amine is sourced from PubChem (CID 155044261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).