N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide

C7H17N3O — CID 103387588

IUPACN-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(C)CN
InChIInChI=1S/C7H17N3O/c1-6(5-8)9-3-4-10-7(2)11/h6,9H,3-5,8H2,1-2H3,(H,10,11)
InChIKeyOZMGEYOHRLYANK-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.94
Rot. Bonds5

About N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide

N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide (PubChem CID 103387588) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
PubChem CID103387588
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(C)CN
InChIInChI=1S/C7H17N3O/c1-6(5-8)9-3-4-10-7(2)11/h6,9H,3-5,8H2,1-2H3,(H,10,11)
InChIKeyOZMGEYOHRLYANK-UHFFFAOYSA-N
XLogP-0.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(1-aminopropan-2-ylamino)ethyl]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

3-(2-acetamidoethylamino)butanoic acid
CID 43552761
2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
methyl 2-(1-aminopropan-2-ylamino)acetate
CID 88770790
N-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]acetamide
CID 107529281
N-(2-acetamidoethyl)-2-bromopropanamide
CID 82110777
2-methylpropan-1-amine;N-(2-methylpropyl)acetamide
CID 161466003
N-(3-acetamidobutyl)acetamide
CID 118918333
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
N-[2-[1-(1-methylcyclopropyl)ethylamino]ethyl]acetamide
CID 43363271
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
N-(2-acetamidoethyl)-2-(3-amino-2-methylpropyl)sulfanylacetamide
CID 66227648

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide (CID 103387588) is N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide is CC(=O)NCCNC(C)CN.
What is the InChIKey of N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide?
The InChIKey is OZMGEYOHRLYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(5-8)9-3-4-10-7(2)11/h6,9H,3-5,8H2,1-2H3,(H,10,11).
What are the key properties of N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide?
N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide has a molecular weight of 159.23 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 103387588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).