2-(1-aminobutylideneamino)-N-propylpropanamide

C10H21N3O — CID 63177784

IUPAC2-(1-aminobutylideneamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)/N=C(/N)CCC
InChIInChI=1S/C10H21N3O/c1-4-6-9(11)13-8(3)10(14)12-7-5-2/h8H,4-7H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyVDNFKWHHQBPUGJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.06
Rot. Bonds6

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

2-(1-aminobutylideneamino)-N-propylpropanamide (PubChem CID 63177784) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N-propylpropanamide
PubChem CID63177784
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(1-aminobutylideneamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)/N=C(/N)CCC
InChIInChI=1S/C10H21N3O/c1-4-6-9(11)13-8(3)10(14)12-7-5-2/h8H,4-7H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyVDNFKWHHQBPUGJ-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1-aminobutylideneamino)-N-propylpropanamide 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

2-azido-N-propylpropanamide
CID 61373269
2-(carbamothioylamino)-N-propylpropanamide
CID 61476796
2-amino-N-propylpropanamide;ethane
CID 142837247
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361
2-iodo-N-propylpropanamide
CID 64787589
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide
CID 63177823
(2S)-2-(propylamino)propanamide
CID 28835957

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutylideneamino)-N-propylpropanamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N-propylpropanamide (CID 63177784) is 2-(1-aminobutylideneamino)-N-propylpropanamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N-propylpropanamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N-propylpropanamide is CCCNC(=O)C(C)/N=C(/N)CCC.
What is the InChIKey of 2-(1-aminobutylideneamino)-N-propylpropanamide?
The InChIKey is VDNFKWHHQBPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-6-9(11)13-8(3)10(14)12-7-5-2/h8H,4-7H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 2-(1-aminobutylideneamino)-N-propylpropanamide?
2-(1-aminobutylideneamino)-N-propylpropanamide 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-(1-aminobutylideneamino)-N-propylpropanamide is sourced from PubChem (CID 63177784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).