3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide

C14H27N3O2 — CID 106918215

IUPAC3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCN(C)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H27N3O2/c1-16-13(18)9-10-17(2)14(19)8-5-11-3-6-12(15)7-4-11/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyPGPJGCXSHBLOET-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds6

About 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide

3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide (PubChem CID 106918215) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
PubChem CID106918215
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCN(C)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H27N3O2/c1-16-13(18)9-10-17(2)14(19)8-5-11-3-6-12(15)7-4-11/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyPGPJGCXSHBLOET-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55227765
N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-pyrrolidin-3-ylpropanamide
CID 103859917
3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
CID 79864897
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
4-[(4-aminocyclohexyl)-methylamino]-N-methylbutanamide
CID 79120771
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
CID 119772573
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
4-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 60846741
N-(4-aminocyclohexyl)-3-cyclobutyl-N-methylpropanamide
CID 115277537
2-hydroxyethyl N-methyl-N-[3-(methylamino)-3-oxopropyl]carbamate
CID 106918325
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide (CID 106918215) is 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide is CNC(=O)CCN(C)C(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
The InChIKey is PGPJGCXSHBLOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-16-13(18)9-10-17(2)14(19)8-5-11-3-6-12(15)7-4-11/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide?
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 106918215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).