2-(1-aminobutylideneamino)-N-propylacetamide

C9H19N3O — CID 63175416

IUPAC2-(1-aminobutylideneamino)-N-propylacetamide
SMILESCCCNC(=O)C/N=C(/N)CCC
InChIInChI=1S/C9H19N3O/c1-3-5-8(10)12-7-9(13)11-6-4-2/h3-7H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyBCPQFIDGWRLVPX-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds6

About 2-(1-aminobutylideneamino)-N-propylacetamide

2-(1-aminobutylideneamino)-N-propylacetamide (PubChem CID 63175416) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N-propylacetamide
PubChem CID63175416
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(1-aminobutylideneamino)-N-propylacetamide
SMILESCCCNC(=O)C/N=C(/N)CCC
InChIInChI=1S/C9H19N3O/c1-3-5-8(10)12-7-9(13)11-6-4-2/h3-7H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyBCPQFIDGWRLVPX-UHFFFAOYSA-N
XLogP0.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
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

(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one
CID 10487713
N-[2-(1-aminoethylideneamino)ethyl]acetamide
CID 23394281
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-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide
CID 89315102
N-[2-(2-ethyl-3-methyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]propanamide
CID 117780494
N-[(2R)-2-amino-5-(1-aminoethylideneamino)pentyl]acetamide
CID 122547942
2-Methyl-1,3,8,11-tetrazacyclopentadec-2-ene-9,10-dione
CID 123147580
N'-(1-aminopropylidene)-N-propan-2-yloxamide
CID 123636944

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutylideneamino)-N-propylacetamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N-propylacetamide (CID 63175416) is 2-(1-aminobutylideneamino)-N-propylacetamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N-propylacetamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N-propylacetamide is CCCNC(=O)C/N=C(/N)CCC.
What is the InChIKey of 2-(1-aminobutylideneamino)-N-propylacetamide?
The InChIKey is BCPQFIDGWRLVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-5-8(10)12-7-9(13)11-6-4-2/h3-7H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 2-(1-aminobutylideneamino)-N-propylacetamide?
2-(1-aminobutylideneamino)-N-propylacetamide has a molecular weight of 185.27 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-N-propylacetamide is sourced from PubChem (CID 63175416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).