N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine

C11H21N3 — CID 107907729

IUPACN-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2C=CCCC2)CC1
InChIInChI=1S/C11H21N3/c1-13-7-9-14(10-8-13)12-11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3
InChIKeyDRIYKNSJAIAUNH-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.85
Rot. Bonds2

About N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine

N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine (PubChem CID 107907729) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine
PubChem CID107907729
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2C=CCCC2)CC1
InChIInChI=1S/C11H21N3/c1-13-7-9-14(10-8-13)12-11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3
InChIKeyDRIYKNSJAIAUNH-UHFFFAOYSA-N
XLogP0.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22258625
2-Methyl-2,3-diazabicyclo[2.2.2]oct-5-ene
CID 167530645
(1S,5S)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine
CID 58544006
(1R,5R)-N-methyl-5-(4-methylpiperazin-1-yl)cyclohex-3-en-1-amine
CID 58544017
1,2,3,4,4a,7,8,9-Octahydropyridazino[1,6-a]azepine
CID 67851456
N-[(Z)-octadec-9-enyl]-2-propylpiperazin-1-amine
CID 69011227
N-[(Z)-octadec-9-enyl]-4-propylpiperazin-1-amine
CID 69011229
1,2,5,5a,6,7,8,9-Octahydropyrido[1,2-b]diazepine
CID 69724115
1-Cyclohex-2-en-1-ylpiperazine
CID 114619539
4-(4-Ethylpiperazin-1-yl)cyclohex-2-en-1-amine
CID 123815338
1,2,3,4,4a,5,8,9-Octahydropyridazino[1,6-a]azepine
CID 139835795
[1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-3-yl]hydrazine
CID 144196811

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine (CID 107907729) is N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine is CN1CCN(NC2C=CCCC2)CC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine?
The InChIKey is DRIYKNSJAIAUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13-7-9-14(10-8-13)12-11-5-3-2-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine?
N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-methylpiperazin-1-amine is sourced from PubChem (CID 107907729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).