N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine

C10H19N3 — CID 123148170

IUPACN-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
SMILESC=C(C)CCN1CCNC/C1=N\C
InChIInChI=1S/C10H19N3/c1-9(2)4-6-13-7-5-12-8-10(13)11-3/h12H,1,4-8H2,2-3H3/b11-10+
InChIKeyRIJUCGYRRHZXSH-ZHACJKMWSA-N
MW181.28 g/mol
LogP0.89
Rot. Bonds3

About N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine

N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine (PubChem CID 123148170) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine.

Molecular Properties

Compound NameN-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
PubChem CID123148170
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
SMILESC=C(C)CCN1CCNC/C1=N\C
InChIInChI=1S/C10H19N3/c1-9(2)4-6-13-7-5-12-8-10(13)11-3/h12H,1,4-8H2,2-3H3/b11-10+
InChIKeyRIJUCGYRRHZXSH-ZHACJKMWSA-N
XLogP0.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349174
N-[2-(butan-2-ylamino)ethyl]-N,N',3-trimethylbut-3-enimidamide
CID 90443552
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349173
N,3-dimethyl-2-methylidene-1-piperazin-1-ylbutan-1-imine
CID 155207254
1-(5-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 156059049
(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine
CID 163982230
1-(4-methyl-3H-pyrrol-2-yl)piperazine
CID 167540012
3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine
CID 172500517

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine?
The IUPAC name of N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine (CID 123148170) is N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine.
What is the SMILES notation for N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine?
The canonical SMILES for N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine is C=C(C)CCN1CCNC/C1=N\C.
What is the InChIKey of N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine?
The InChIKey is RIJUCGYRRHZXSH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)4-6-13-7-5-12-8-10(13)11-3/h12H,1,4-8H2,2-3H3/b11-10+.
What are the key properties of N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine?
N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine has a molecular weight of 181.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine is sourced from PubChem (CID 123148170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).