3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide

C17H35N3O — CID 80693936

IUPAC3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
SMILESCC(C)N(CCNC(=O)CCC1CCCC(N)C1)C(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)20(14(3)4)11-10-19-17(21)9-8-15-6-5-7-16(18)12-15/h13-16H,5-12,18H2,1-4H3,(H,19,21)
InChIKeyGALLDDYKJGZMDI-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds8

About 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide

3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide (PubChem CID 80693936) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
PubChem CID80693936
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
SMILESCC(C)N(CCNC(=O)CCC1CCCC(N)C1)C(C)C
InChIInChI=1S/C17H35N3O/c1-13(2)20(14(3)4)11-10-19-17(21)9-8-15-6-5-7-16(18)12-15/h13-16H,5-12,18H2,1-4H3,(H,19,21)
InChIKeyGALLDDYKJGZMDI-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide 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-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 80700385
3-(3-aminocyclohexyl)-N-(2-methylpropyl)propanamide
CID 80700557
3-(3-aminocyclohexyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83118112
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819
3-(3-aminocyclohexyl)-N-methyl-N-propan-2-ylpropanamide
CID 80701423
3-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 80700809
2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62782488
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095
3-(3-aminocyclohexyl)-N-butan-2-yl-N-methylpropanamide
CID 80701676
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
3-(3-aminocyclohexyl)-N-(2-methylcycloheptyl)propanamide
CID 80701268
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide (CID 80693936) is 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide is CC(C)N(CCNC(=O)CCC1CCCC(N)C1)C(C)C.
What is the InChIKey of 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The InChIKey is GALLDDYKJGZMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-13(2)20(14(3)4)11-10-19-17(21)9-8-15-6-5-7-16(18)12-15/h13-16H,5-12,18H2,1-4H3,(H,19,21).
What are the key properties of 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 80693936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).