N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine

C19H32N6 — CID 143397435

IUPACN-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine
SMILESCNCCCNc1nc(CN2CCN(C)CC2)ncccccc1C
InChIInChI=1S/C19H32N6/c1-17-8-5-4-6-10-21-18(16-25-14-12-24(3)13-15-25)23-19(17)22-11-7-9-20-2/h4-6,8,10,20H,7,9,11-16H2,1-3H3,(H,21,22,23)
InChIKeyBKINAMFOYMPYIJ-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.68
Rot. Bonds7

About N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine

N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine (PubChem CID 143397435) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine
PubChem CID143397435
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC NameN-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine
SMILESCNCCCNc1nc(CN2CCN(C)CC2)ncccccc1C
InChIInChI=1S/C19H32N6/c1-17-8-5-4-6-10-21-18(16-25-14-12-24(3)13-15-25)23-19(17)22-11-7-9-20-2/h4-6,8,10,20H,7,9,11-16H2,1-3H3,(H,21,22,23)
InChIKeyBKINAMFOYMPYIJ-UHFFFAOYSA-N
XLogP1.68
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397729
N-methyl-N'-[2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397861
N-methyl-N'-[2-[[4-[(1-phenylsulfanylpyrrol-2-yl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397156
N'-[2-[[(3-chloro-4-methylphenyl)methyl-methylamino]methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396502
[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]methanamine
CID 105478159
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
methyl 4-[[2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]quinazolin-4-yl]amino]butanoate
CID 28958060
1-butyl-4-methylpiperazine;ethane;2-methylpyridine
CID 144514964
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470227
1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine (CID 143397435) is N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine is CNCCCNc1nc(CN2CCN(C)CC2)ncccccc1C.
What is the InChIKey of N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine?
The InChIKey is BKINAMFOYMPYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-17-8-5-4-6-10-21-18(16-25-14-12-24(3)13-15-25)23-19(17)22-11-7-9-20-2/h4-6,8,10,20H,7,9,11-16H2,1-3H3,(H,21,22,23).
What are the key properties of N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine?
N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine has a molecular weight of 344.51 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-diazecin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 143397435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).