1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C16H32N4O — CID 119140423

IUPAC1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESC/N=C(\NCC(C)(C)C)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C16H32N4O/c1-15(2,3)11-18-14(17-4)19-12-16(9-7-8-10-16)13(21)20(5)6/h7-12H2,1-6H3,(H2,17,18,19)
InChIKeyARYFKBVOOTYOON-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.85
Rot. Bonds4

About 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 119140423) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID119140423
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESC/N=C(\NCC(C)(C)C)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C16H32N4O/c1-15(2,3)11-18-14(17-4)19-12-16(9-7-8-10-16)13(21)20(5)6/h7-12H2,1-6H3,(H2,17,18,19)
InChIKeyARYFKBVOOTYOON-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
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-prop-2-ynylcarbamimidoyl)amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570750
1-[[(N-butyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571750
N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571259
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-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111571258
1-[[(N-hexyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569576
N,N-dimethyl-1-[[[N'-methyl-N-(oxan-2-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140421
1-[[[N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570438
N,N-dimethyl-1-[[[N'-methyl-N-[3-oxo-3-(propylamino)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111569444
tert-butyl N-[2-[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-ethylcarbamate;hydroiodide
CID 111570756

Frequently Asked Questions

What is the IUPAC name of 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 119140423) is 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is C/N=C(\NCC(C)(C)C)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is ARYFKBVOOTYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-15(2,3)11-18-14(17-4)19-12-16(9-7-8-10-16)13(21)20(5)6/h7-12H2,1-6H3,(H2,17,18,19).
What are the key properties of 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 119140423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).