5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid

C16H30N2O3 — CID 62933876

IUPAC5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(C)C1(CNC(=O)CC(C)(C)CC(=O)O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,11-14(20)21)10-13(19)17-12-16(18(3)4)8-6-5-7-9-16/h5-12H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyJHTPRJGJOAXMMB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds7

About 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933876) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933876
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCN(C)C1(CNC(=O)CC(C)(C)CC(=O)O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-15(2,11-14(20)21)10-13(19)17-12-16(18(3)4)8-6-5-7-9-16/h5-12H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyJHTPRJGJOAXMMB-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-diethyl-4-oxobutanoic acid
CID 83107807
5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703695
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 105419531
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83121587
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933876) is 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid is CN(C)C1(CNC(=O)CC(C)(C)CC(=O)O)CCCCC1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is JHTPRJGJOAXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,11-14(20)21)10-13(19)17-12-16(18(3)4)8-6-5-7-9-16/h5-12H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclohexyl]methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).