2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide

C14H28N4O — CID 109469065

IUPAC2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN/C(=N\C)NCC1(CC)CCC1
InChIInChI=1S/C14H28N4O/c1-4-9-16-12(19)10-17-13(15-3)18-11-14(5-2)7-6-8-14/h4-11H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyRAEGFNSSPXCEJK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.26
Rot. Bonds7

About 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide

2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide (PubChem CID 109469065) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
PubChem CID109469065
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN/C(=N\C)NCC1(CC)CCC1
InChIInChI=1S/C14H28N4O/c1-4-9-16-12(19)10-17-13(15-3)18-11-14(5-2)7-6-8-14/h4-11H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyRAEGFNSSPXCEJK-UHFFFAOYSA-N
XLogP1.26
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.26
H-Bond Donors ≤ 53
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

1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
CID 109470016
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109469009
3-[[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide
CID 109470566
ethyl 4-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 109469358
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109469992
N-[3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109470199
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylguanidine
CID 109470520
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732

Frequently Asked Questions

What is the IUPAC name of 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide (CID 109469065) is 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide is CCCNC(=O)CN/C(=N\C)NCC1(CC)CCC1.
What is the InChIKey of 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide?
The InChIKey is RAEGFNSSPXCEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-9-16-12(19)10-17-13(15-3)18-11-14(5-2)7-6-8-14/h4-11H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide?
2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide is sourced from PubChem (CID 109469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).