[3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine

C16H27N3 — CID 145157040

IUPAC[3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine
SMILESC=C(C)C1CC=C(C(C(=C)NN)N2CCCC2)CC1
InChIInChI=1S/C16H27N3/c1-12(2)14-6-8-15(9-7-14)16(13(3)18-17)19-10-4-5-11-19/h8,14,16,18H,1,3-7,9-11,17H2,2H3
InChIKeyHALKJTALMJIXLD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.73
Rot. Bonds5

About [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine

[3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine (PubChem CID 145157040) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine
PubChem CID145157040
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine
SMILESC=C(C)C1CC=C(C(C(=C)NN)N2CCCC2)CC1
InChIInChI=1S/C16H27N3/c1-12(2)14-6-8-15(9-7-14)16(13(3)18-17)19-10-4-5-11-19/h8,14,16,18H,1,3-7,9-11,17H2,2H3
InChIKeyHALKJTALMJIXLD-UHFFFAOYSA-N
XLogP2.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexyl-4-(5-methylpyrazolidin-1-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 138645340
5-(1-ethenylpyrrolidin-2-yl)-N-[(E)-2-hydrazinyl-5-methylhept-5-en-3-yl]-4-methylhept-1-en-3-amine
CID 156046996
(Z)-2-N-but-1-en-2-yl-5-methyl-3-N-(4-methyl-2-propylpyrrolidin-1-yl)hex-3-ene-2,3-diamine
CID 174344628
[1-(Cyclohexen-1-yl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 106649157
[1-(Cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 106649158
[1-(Cyclohexen-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 106649179
[1-(Cycloocten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 106649180
[1-(Cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 106649181
[1-(Cyclohexen-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 106649195
[1-(Cycloocten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 106649196
[1-(Cyclohepten-1-yl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 106649197
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106649202

Frequently Asked Questions

What is the IUPAC name of [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine?
The IUPAC name of [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine (CID 145157040) is [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine.
What is the SMILES notation for [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine?
The canonical SMILES for [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine is C=C(C)C1CC=C(C(C(=C)NN)N2CCCC2)CC1.
What is the InChIKey of [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine?
The InChIKey is HALKJTALMJIXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)14-6-8-15(9-7-14)16(13(3)18-17)19-10-4-5-11-19/h8,14,16,18H,1,3-7,9-11,17H2,2H3.
What are the key properties of [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine?
[3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine has a molecular weight of 261.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-prop-1-en-2-ylcyclohexen-1-yl)-3-pyrrolidin-1-ylprop-1-en-2-yl]hydrazine is sourced from PubChem (CID 145157040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).