N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide

C15H33N5O — CID 111384763

IUPACN-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESCCN(CCN/C(=N\C)NCC(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C15H33N5O/c1-8-20(12(2)3)10-9-17-14(16-7)18-11-13(21)19-15(4,5)6/h12H,8-11H2,1-7H3,(H,19,21)(H2,16,17,18)
InChIKeyKOGVTTKDKXFLRX-UHFFFAOYSA-N
MW299.46 g/mol
LogP0.80
Rot. Bonds7

About N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide

N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 111384763) has the molecular formula C15H33N5O and a molecular weight of 299.46 g/mol. Its IUPAC name is N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID111384763
Molecular FormulaC15H33N5O
Molecular Weight299.46 g/mol
Exact Mass299.27
IUPAC NameN-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESCCN(CCN/C(=N\C)NCC(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C15H33N5O/c1-8-20(12(2)3)10-9-17-14(16-7)18-11-13(21)19-15(4,5)6/h12H,8-11H2,1-7H3,(H,19,21)(H2,16,17,18)
InChIKeyKOGVTTKDKXFLRX-UHFFFAOYSA-N
XLogP0.80
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-tert-butyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111248158
N-tert-butyl-2-[[N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111384341
tert-butyl N-[2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-ethylcarbamate
CID 111385136
N-tert-butyl-2-[(N-butyl-N'-methylcarbamimidoyl)amino]acetamide
CID 111149820
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide
CID 111128589
N-tert-butyl-2-[(N-ethyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111384012
N-tert-butyl-2-[(N'-methyl-N-pentylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111128588
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978702
tert-butyl N-[2-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylcarbamate
CID 111385196
N-tert-butyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111124289
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
N-tert-butyl-2-[[N-[2-(N-ethyl-2-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384594

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide (CID 111384763) is N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide is CCN(CCN/C(=N\C)NCC(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is KOGVTTKDKXFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O/c1-8-20(12(2)3)10-9-17-14(16-7)18-11-13(21)19-15(4,5)6/h12H,8-11H2,1-7H3,(H,19,21)(H2,16,17,18).
What are the key properties of N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 299.46 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[N-[2-[ethyl(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 111384763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).