4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine

C17H27N3 — CID 143708471

IUPAC4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C(CCCC1=CC=C(N(C)C(=C)/C=C\C)CC1)NN
InChIInChI=1S/C17H27N3/c1-5-7-15(3)20(4)17-12-10-16(11-13-17)9-6-8-14(2)19-18/h5,7,10,12,19H,2-3,6,8-9,11,13,18H2,1,4H3/b7-5-
InChIKeyHZMYKMWWYSHKRB-ALCCZGGFSA-N
MW273.42 g/mol
LogP3.76
Rot. Bonds8

About 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine

4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 143708471) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID143708471
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C(CCCC1=CC=C(N(C)C(=C)/C=C\C)CC1)NN
InChIInChI=1S/C17H27N3/c1-5-7-15(3)20(4)17-12-10-16(11-13-17)9-6-8-14(2)19-18/h5,7,10,12,19H,2-3,6,8-9,11,13,18H2,1,4H3/b7-5-
InChIKeyHZMYKMWWYSHKRB-ALCCZGGFSA-N
XLogP3.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine (CID 143708471) is 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine is C=C(CCCC1=CC=C(N(C)C(=C)/C=C\C)CC1)NN.
What is the InChIKey of 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is HZMYKMWWYSHKRB-ALCCZGGFSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-7-15(3)20(4)17-12-10-16(11-13-17)9-6-8-14(2)19-18/h5,7,10,12,19H,2-3,6,8-9,11,13,18H2,1,4H3/b7-5-.
What are the key properties of 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine?
4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinylpent-4-enyl)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143708471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).