N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide

C19H38N6O — CID 111569593

IUPACN,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
SMILESC/N=C(/NCC(C)N1CCN(C)CC1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C19H38N6O/c1-16(25-12-10-24(5)11-13-25)14-21-18(20-2)22-15-19(8-6-7-9-19)17(26)23(3)4/h16H,6-15H2,1-5H3,(H2,20,21,22)
InChIKeyOHKRBUGIVXXSLR-UHFFFAOYSA-N
MW366.55 g/mol
LogP0.44
Rot. Bonds6

About N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide

N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide (PubChem CID 111569593) has the molecular formula C19H38N6O and a molecular weight of 366.55 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
PubChem CID111569593
Molecular FormulaC19H38N6O
Molecular Weight366.55 g/mol
Exact Mass366.31
IUPAC NameN,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
SMILESC/N=C(/NCC(C)N1CCN(C)CC1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C19H38N6O/c1-16(25-12-10-24(5)11-13-25)14-21-18(20-2)22-15-19(8-6-7-9-19)17(26)23(3)4/h16H,6-15H2,1-5H3,(H2,20,21,22)
InChIKeyOHKRBUGIVXXSLR-UHFFFAOYSA-N
XLogP0.44
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111569603
N,N-dimethyl-1-[[[N'-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569860
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470295
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)guanidine
CID 111179110
N,N-dimethyl-1-[[[N'-methyl-N-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 119140423
N,N-dimethyl-1-[[(N'-methyl-N-prop-2-ynylcarbamimidoyl)amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570750
N,N-dimethyl-1-[[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570390
N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111569999
N,N-dimethyl-1-[[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 109376556
1-[[[N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570026
1-[[[N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide (CID 111569593) is N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide is C/N=C(/NCC(C)N1CCN(C)CC1)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The InChIKey is OHKRBUGIVXXSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6O/c1-16(25-12-10-24(5)11-13-25)14-21-18(20-2)22-15-19(8-6-7-9-19)17(26)23(3)4/h16H,6-15H2,1-5H3,(H2,20,21,22).
What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide has a molecular weight of 366.55 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,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 111569593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).