3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide

C8H18N4O — CID 106096960

IUPAC3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
SMILESCC/N=C(\N)NC(C)(C)CC(N)=O
InChIInChI=1S/C8H18N4O/c1-4-11-7(10)12-8(2,3)5-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H3,10,11,12)
InChIKeySMVONFMQBSZPLQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.44
Rot. Bonds4

About 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide

3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide (PubChem CID 106096960) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
PubChem CID106096960
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
SMILESCC/N=C(\N)NC(C)(C)CC(N)=O
InChIInChI=1S/C8H18N4O/c1-4-11-7(10)12-8(2,3)5-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H3,10,11,12)
InChIKeySMVONFMQBSZPLQ-UHFFFAOYSA-N
XLogP-0.44
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.44
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

3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
3-(butylcarbamoylamino)-3-methylbutanamide
CID 106096139
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
CID 86789765
(1S,6R)-6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106095716
2-ethyl-1-(2-methyl-4-phenylbutan-2-yl)guanidine
CID 113236761

Frequently Asked Questions

What is the IUPAC name of 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide (CID 106096960) is 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide is CC/N=C(\N)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide?
The InChIKey is SMVONFMQBSZPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-4-11-7(10)12-8(2,3)5-6(9)13/h4-5H2,1-3H3,(H2,9,13)(H3,10,11,12).
What are the key properties of 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide?
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide has a molecular weight of 186.26 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106096960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).