N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide

C13H26N4O — CID 109467785

IUPACN-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C13H26N4O/c1-11(2)12(18)15-7-6-8-16-13(14)17-9-4-3-5-10-17/h11H,3-10H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyNZJSRTTWZKWUME-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.95
Rot. Bonds5

About N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide

N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide (PubChem CID 109467785) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide
PubChem CID109467785
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC/N=C(\N)N1CCCCC1
InChIInChI=1S/C13H26N4O/c1-11(2)12(18)15-7-6-8-16-13(14)17-9-4-3-5-10-17/h11H,3-10H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyNZJSRTTWZKWUME-UHFFFAOYSA-N
XLogP0.95
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.95
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

Cyclopropyl-(2,4-diamino-5-propyl-1,3,5,9-tetrazaspiro[5.5]undeca-1,3-dien-9-yl)methanone
CID 145958073
2-[(1-acetylpiperidin-4-yl)methyl]-1-[(2S)-butan-2-yl]guanidine
CID 95339254
2-[1-[N-(diaminomethylidene)carbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 176433287
2-Methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474900
2-Methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474901
N-[2-[[N-[1-(2,2-difluoroethyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111992909
(2-Amino-4-imino-5-propyl-1,3,5,9-tetrazaspiro[5.5]undec-1-en-9-yl)-cyclopropylmethanone
CID 176524970
N-[(1-carbamimidoylpiperidin-4-yl)methyl]butanamide
CID 23579178
N-[2-(1-carbamimidoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 23590356
N-[2-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)ethyl]-2,2-dimethylpropanamide
CID 23590357
1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
CID 23594197
1-(N'-methylcarbamimidoyl)piperidine-4-carboxamide
CID 62360989

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide (CID 109467785) is N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide is CC(C)C(=O)NCCC/N=C(\N)N1CCCCC1.
What is the InChIKey of N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide?
The InChIKey is NZJSRTTWZKWUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(2)12(18)15-7-6-8-16-13(14)17-9-4-3-5-10-17/h11H,3-10H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide?
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide has a molecular weight of 254.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-2-methylpropanamide is sourced from PubChem (CID 109467785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).