N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane

C13H30N4 — CID 145338320

IUPACN-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane
SMILESC=CNCCN1CCNCC1.CC(C)C.[H]N=C
InChIInChI=1S/C8H17N3.C4H10.CH3N/c1-2-9-3-6-11-7-4-10-5-8-11;1-4(2)3;1-2/h2,9-10H,1,3-8H2;4H,1-3H3;2H,1H2
InChIKeyWDBXWERNEHEGLY-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.55
Rot. Bonds4

About N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane

N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane (PubChem CID 145338320) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane.

Molecular Properties

Compound NameN-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane
PubChem CID145338320
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC NameN-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane
SMILESC=CNCCN1CCNCC1.CC(C)C.[H]N=C
InChIInChI=1S/C8H17N3.C4H10.CH3N/c1-2-9-3-6-11-7-4-10-5-8-11;1-4(2)3;1-2/h2,9-10H,1,3-8H2;4H,1-3H3;2H,1H2
InChIKeyWDBXWERNEHEGLY-UHFFFAOYSA-N
XLogP1.55
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine
CID 82674179
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
(2Z)-2-(ethylideneamino)-N-(2-piperazin-1-ylethyl)penta-2,4-dien-1-amine
CID 142137280
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408
2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394504

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane?
The IUPAC name of N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane (CID 145338320) is N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane.
What is the SMILES notation for N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane?
The canonical SMILES for N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane is C=CNCCN1CCNCC1.CC(C)C.[H]N=C.
What is the InChIKey of N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane?
The InChIKey is WDBXWERNEHEGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C4H10.CH3N/c1-2-9-3-6-11-7-4-10-5-8-11;1-4(2)3;1-2/h2,9-10H,1,3-8H2;4H,1-3H3;2H,1H2.
What are the key properties of N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane?
N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane has a molecular weight of 242.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-piperazin-1-ylethanamine;methanimine;2-methylpropane is sourced from PubChem (CID 145338320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).