2-amino-N-butyl-2-butyliminoacetamide

C10H21N3O — CID 13205744

IUPAC2-amino-N-butyl-2-butyliminoacetamide
SMILESCCCC/N=C(\N)C(=O)NCCCC
InChIInChI=1S/C10H21N3O/c1-3-5-7-12-9(11)10(14)13-8-6-4-2/h3-8H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyZLNOXHZOWJYQPP-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.06
Rot. Bonds6

About 2-amino-N-butyl-2-butyliminoacetamide

2-amino-N-butyl-2-butyliminoacetamide (PubChem CID 13205744) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-N-butyl-2-butyliminoacetamide.

Molecular Properties

Compound Name2-amino-N-butyl-2-butyliminoacetamide
PubChem CID13205744
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-N-butyl-2-butyliminoacetamide
SMILESCCCC/N=C(\N)C(=O)NCCCC
InChIInChI=1S/C10H21N3O/c1-3-5-7-12-9(11)10(14)13-8-6-4-2/h3-8H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyZLNOXHZOWJYQPP-UHFFFAOYSA-N
XLogP1.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetylagmatine
CID 439661
Propanoylagmatine
CID 439760
Bis(agmatine)oxalamide
CID 3025845
N-[2-(1-aminoethylideneamino)ethyl]acetamide
CID 23394281
(2S)-2-amino-N-[4-(diaminomethylideneamino)butyl]propanamide
CID 57586152
N-[2-[(1-amino-2,2-dimethylpropylidene)amino]ethyl]acetamide
CID 58089968
2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 58620294
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
2-(1-aminoethylideneamino)-N-propan-2-ylacetamide
CID 63173658
N-[2-(1-aminopropylideneamino)ethyl]acetamide
CID 63175662
2-amino-N-[4-(diaminomethylideneamino)butyl]propanamide
CID 76611408
N-[2-(diaminomethylideneamino)ethyl]butanamide
CID 88863295

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-2-butyliminoacetamide?
The IUPAC name of 2-amino-N-butyl-2-butyliminoacetamide (CID 13205744) is 2-amino-N-butyl-2-butyliminoacetamide.
What is the SMILES notation for 2-amino-N-butyl-2-butyliminoacetamide?
The canonical SMILES for 2-amino-N-butyl-2-butyliminoacetamide is CCCC/N=C(\N)C(=O)NCCCC.
What is the InChIKey of 2-amino-N-butyl-2-butyliminoacetamide?
The InChIKey is ZLNOXHZOWJYQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-5-7-12-9(11)10(14)13-8-6-4-2/h3-8H2,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-N-butyl-2-butyliminoacetamide?
2-amino-N-butyl-2-butyliminoacetamide has a molecular weight of 199.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-2-butyliminoacetamide is sourced from PubChem (CID 13205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).