N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine

C26H52N6 — CID 71765356

IUPACN-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
SMILESCNCCCCNCCCCNCc1ccc(CNCCCCNCCCCNC)cc1
InChIInChI=1S/C26H52N6/c1-27-15-3-5-17-29-19-7-9-21-31-23-25-11-13-26(14-12-25)24-32-22-10-8-20-30-18-6-4-16-28-2/h11-14,27-32H,3-10,15-24H2,1-2H3
InChIKeyVDNZSEOZDLLXMM-UHFFFAOYSA-N
MW448.74 g/mol
LogP2.60
Rot. Bonds24

About N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine

N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine (PubChem CID 71765356) has the molecular formula C26H52N6 and a molecular weight of 448.74 g/mol. Its IUPAC name is N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
PubChem CID71765356
Molecular FormulaC26H52N6
Molecular Weight448.74 g/mol
Exact Mass448.43
IUPAC NameN-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
SMILESCNCCCCNCCCCNCc1ccc(CNCCCCNCCCCNC)cc1
InChIInChI=1S/C26H52N6/c1-27-15-3-5-17-29-19-7-9-21-31-23-25-11-13-26(14-12-25)24-32-22-10-8-20-30-18-6-4-16-28-2/h11-14,27-32H,3-10,15-24H2,1-2H3
InChIKeyVDNZSEOZDLLXMM-UHFFFAOYSA-N
XLogP2.60
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 52.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine with MolForge

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Related Compounds

N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201878
N'-[(4-tert-butylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201880
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
CID 103220678
N'-[(4-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
N,N'-bis[3-[(4-ethylphenyl)methylamino]propyl]octane-1,8-diamine;tetrahydrochloride
CID 14791320
4-[[3-(methylamino)propylamino]methyl]benzoic acid;dihydrochloride
CID 17159605
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N'-[(3-bromophenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201979
2-[4-[[3-(methylamino)propylamino]methyl]phenoxy]acetic acid
CID 102535651
2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine?
The IUPAC name of N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine (CID 71765356) is N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine.
What is the SMILES notation for N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine?
The canonical SMILES for N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine is CNCCCCNCCCCNCc1ccc(CNCCCCNCCCCNC)cc1.
What is the InChIKey of N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine?
The InChIKey is VDNZSEOZDLLXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N6/c1-27-15-3-5-17-29-19-7-9-21-31-23-25-11-13-26(14-12-25)24-32-22-10-8-20-30-18-6-4-16-28-2/h11-14,27-32H,3-10,15-24H2,1-2H3.
What are the key properties of N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine?
N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine has a molecular weight of 448.74 g/mol, XLogP of 2.60, 24 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine is sourced from PubChem (CID 71765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).