3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide

C10H21N3O — CID 63177823

IUPAC3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\N)C(C)C
InChIInChI=1S/C10H21N3O/c1-4-6-12-9(14)5-7-13-10(11)8(2)3/h8H,4-7H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyGURFRECZAACQGU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.92
Rot. Bonds6

About 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide

3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide (PubChem CID 63177823) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide
PubChem CID63177823
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide
SMILESCCCNC(=O)CC/N=C(\N)C(C)C
InChIInChI=1S/C10H21N3O/c1-4-6-12-9(14)5-7-13-10(11)8(2)3/h8H,4-7H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyGURFRECZAACQGU-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
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

3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361
3-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
CID 63177883
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
CID 174613902
(4R)-4-amino-N-propylpentanamide
CID 146234117
3-[[ethylamino-(5-methylhexan-2-ylamino)methylidene]amino]-N-propylpropanamide
CID 111204116
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891
3-[(1-amino-1-hydroxyiminobutan-2-yl)amino]-N-propylpropanamide
CID 77032208
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
CID 170372518

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide?
The IUPAC name of 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide (CID 63177823) is 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide is CCCNC(=O)CC/N=C(\N)C(C)C.
What is the InChIKey of 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide?
The InChIKey is GURFRECZAACQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-6-12-9(14)5-7-13-10(11)8(2)3/h8H,4-7H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide?
3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide has a molecular weight of 199.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methylpropylidene)amino]-N-propylpropanamide is sourced from PubChem (CID 63177823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).