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

C17H33N5O2 — CID 111569999

IUPACN,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
SMILESC/N=C(/NCC1CN(C)CCO1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C17H33N5O2/c1-18-16(19-11-14-12-22(4)9-10-24-14)20-13-17(7-5-6-8-17)15(23)21(2)3/h14H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyRNTCKQRPUDXAAC-UHFFFAOYSA-N
MW339.48 g/mol
LogP0.13
Rot. Bonds5

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

N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide (PubChem CID 111569999) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
PubChem CID111569999
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC NameN,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
SMILESC/N=C(/NCC1CN(C)CCO1)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C17H33N5O2/c1-18-16(19-11-14-12-22(4)9-10-24-14)20-13-17(7-5-6-8-17)15(23)21(2)3/h14H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyRNTCKQRPUDXAAC-UHFFFAOYSA-N
XLogP0.13
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 50.13
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'}

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Related Compounds

N,N-dimethyl-1-[[[N'-methyl-N-(oxan-2-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140421
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 109469693
N,N-dimethyl-1-[[[N'-methyl-N-(oxan-4-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140447
N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140417
N,N-dimethyl-1-[[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570390
1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 119140423
N,N-dimethyl-1-[[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111569593
N,N-dimethyl-1-[[[N'-methyl-N-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
1-cyclopentyl-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110991009
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482
tert-butyl N-[2-[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884988
1-(2-ethylbutyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111891427

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide (CID 111569999) is N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide is C/N=C(/NCC1CN(C)CCO1)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The InChIKey is RNTCKQRPUDXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-18-16(19-11-14-12-22(4)9-10-24-14)20-13-17(7-5-6-8-17)15(23)21(2)3/h14H,5-13H2,1-4H3,(H2,18,19,20).
What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 0.13, 5 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-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 111569999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).