[1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium

C17H34N5O3+ — CID 91802977

IUPAC[1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium
SMILESCCCCNC(=O)C(C)(C)/N=[N+](\C(N)=O)C(C)(C)C(=O)NCCCC
InChIInChI=1S/C17H33N5O3/c1-7-9-11-19-13(23)16(3,4)21-22(15(18)25)17(5,6)14(24)20-12-10-8-2/h7-12H2,1-6H3,(H3-,18,19,20,23,24,25)/p+1/b22-21+
InChIKeyAGFJVJHYBBXXMG-QURGRASLSA-O
MW356.49 g/mol
LogP1.92
Rot. Bonds10

About [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium

[1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium (PubChem CID 91802977) has the molecular formula C17H34N5O3+ and a molecular weight of 356.49 g/mol. Its IUPAC name is [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium.

Molecular Properties

Compound Name[1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium
PubChem CID91802977
Molecular FormulaC17H34N5O3+
Molecular Weight356.49 g/mol
Exact Mass356.27
IUPAC Name[1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium
SMILESCCCCNC(=O)C(C)(C)/N=[N+](\C(N)=O)C(C)(C)C(=O)NCCCC
InChIInChI=1S/C17H33N5O3/c1-7-9-11-19-13(23)16(3,4)21-22(15(18)25)17(5,6)14(24)20-12-10-8-2/h7-12H2,1-6H3,(H3-,18,19,20,23,24,25)/p+1/b22-21+
InChIKeyAGFJVJHYBBXXMG-QURGRASLSA-O
XLogP1.92
TPSA116.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[[1-(butylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide;2-cyanopropan-2-yliminourea
CID 87746136
N-butyl-2-[[1-(butylamino)-1-oxo-2-sulfanylpropan-2-yl]diazenyl]-2-sulfanylpropanamide
CID 150928409
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-[2-[(N-butyl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 111152372
2,2-dichloro-N-pentylpropanamide
CID 12827689
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
2-carbamothioyl-N-decyl-2-methylbutanamide
CID 114292426
butylurea;silicic acid
CID 86735760
1-butyl-2-methylguanidine;propane
CID 163254942
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881

Frequently Asked Questions

What is the IUPAC name of [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium?
The IUPAC name of [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium (CID 91802977) is [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium.
What is the SMILES notation for [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium?
The canonical SMILES for [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium is CCCCNC(=O)C(C)(C)/N=[N+](\C(N)=O)C(C)(C)C(=O)NCCCC.
What is the InChIKey of [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium?
The InChIKey is AGFJVJHYBBXXMG-QURGRASLSA-O. The full InChI is InChI=1S/C17H33N5O3/c1-7-9-11-19-13(23)16(3,4)21-22(15(18)25)17(5,6)14(24)20-12-10-8-2/h7-12H2,1-6H3,(H3-,18,19,20,23,24,25)/p+1/b22-21+.
What are the key properties of [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium?
[1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium has a molecular weight of 356.49 g/mol, XLogP of 1.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butylamino)-2-methyl-1-oxopropan-2-yl]-[1-(butylamino)-2-methyl-1-oxopropan-2-yl]imino-carbamoylazanium is sourced from PubChem (CID 91802977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).