N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine

C9H19N3 — CID 123646449

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine
SMILESNNCCNCC1CC=CCC1
InChIInChI=1S/C9H19N3/c10-12-7-6-11-8-9-4-2-1-3-5-9/h1-2,9,11-12H,3-8,10H2
InChIKeyIPRLSHZOBCYVLZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.40
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine (PubChem CID 123646449) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine
PubChem CID123646449
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine
SMILESNNCCNCC1CC=CCC1
InChIInChI=1S/C9H19N3/c10-12-7-6-11-8-9-4-2-1-3-5-9/h1-2,9,11-12H,3-8,10H2
InChIKeyIPRLSHZOBCYVLZ-UHFFFAOYSA-N
XLogP0.40
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N'-(cyclohex-3-en-1-ylmethyl)ethane-1,2-diamine
CID 60888727
2-Cyclohex-3-en-1-ylethylhydrazine;hydrochloride
CID 70569944
1,2,3,4-Tetrazabicyclo[6.6.4]octadec-16-ene
CID 77753871
N-(cyclohexen-1-ylmethyl)-2-hydrazinylethanamine
CID 123168070
amino-[[(1S)-cyclohex-3-en-1-yl]methyl]-methylazanium
CID 163984762
[(1S)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6943072
[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6943074
[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium
CID 7047114
[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium
CID 7047116
[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium
CID 7445685
[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium
CID 7445687
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N',N'-diethylethane-1,2-diamine
CID 28615418

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine (CID 123646449) is N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine is NNCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine?
The InChIKey is IPRLSHZOBCYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c10-12-7-6-11-8-9-4-2-1-3-5-9/h1-2,9,11-12H,3-8,10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine has a molecular weight of 169.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-hydrazinylethanamine is sourced from PubChem (CID 123646449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).