N-[3-(3-methylbutylamino)propyl]acetamide

C10H22N2O — CID 82364861

IUPACN-[3-(3-methylbutylamino)propyl]acetamide
SMILESCC(=O)NCCCNCCC(C)C
InChIInChI=1S/C10H22N2O/c1-9(2)5-8-11-6-4-7-12-10(3)13/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyPLDNBLIJQPFXDJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds7

About N-[3-(3-methylbutylamino)propyl]acetamide

N-[3-(3-methylbutylamino)propyl]acetamide (PubChem CID 82364861) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[3-(3-methylbutylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylbutylamino)propyl]acetamide
PubChem CID82364861
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[3-(3-methylbutylamino)propyl]acetamide
SMILESCC(=O)NCCCNCCC(C)C
InChIInChI=1S/C10H22N2O/c1-9(2)5-8-11-6-4-7-12-10(3)13/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyPLDNBLIJQPFXDJ-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(3-methylbutylamino)propyl]acetamide 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

N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
N-ethyl-N'-[3-[3-(3-methylbutylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrobromide
CID 15951507
3-(3-methylbutylamino)propyl 2-methylpropanoate
CID 82532012
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159263128
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159062074

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylbutylamino)propyl]acetamide?
The IUPAC name of N-[3-(3-methylbutylamino)propyl]acetamide (CID 82364861) is N-[3-(3-methylbutylamino)propyl]acetamide.
What is the SMILES notation for N-[3-(3-methylbutylamino)propyl]acetamide?
The canonical SMILES for N-[3-(3-methylbutylamino)propyl]acetamide is CC(=O)NCCCNCCC(C)C.
What is the InChIKey of N-[3-(3-methylbutylamino)propyl]acetamide?
The InChIKey is PLDNBLIJQPFXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)5-8-11-6-4-7-12-10(3)13/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-[3-(3-methylbutylamino)propyl]acetamide?
N-[3-(3-methylbutylamino)propyl]acetamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylbutylamino)propyl]acetamide is sourced from PubChem (CID 82364861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).