N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine

C11H26N4 — CID 139528374

IUPACN'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
SMILESCN(CCCCN)CC1CNCCN1C
InChIInChI=1S/C11H26N4/c1-14(7-4-3-5-12)10-11-9-13-6-8-15(11)2/h11,13H,3-10,12H2,1-2H3
InChIKeyFCEXWWSQMXOUOV-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.44
Rot. Bonds6

About N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine

N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine (PubChem CID 139528374) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
PubChem CID139528374
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC NameN'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine
SMILESCN(CCCCN)CC1CNCCN1C
InChIInChI=1S/C11H26N4/c1-14(7-4-3-5-12)10-11-9-13-6-8-15(11)2/h11,13H,3-10,12H2,1-2H3
InChIKeyFCEXWWSQMXOUOV-UHFFFAOYSA-N
XLogP-0.44
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
N-[(4-fluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238410
2-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238495
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238409
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
N'-methyl-N'-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 63877714
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine (CID 139528374) is N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine is CN(CCCCN)CC1CNCCN1C.
What is the InChIKey of N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine?
The InChIKey is FCEXWWSQMXOUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-14(7-4-3-5-12)10-11-9-13-6-8-15(11)2/h11,13H,3-10,12H2,1-2H3.
What are the key properties of N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine?
N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine has a molecular weight of 214.36 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylpiperazin-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 139528374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).