2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide

C15H30N2O — CID 43739395

IUPAC2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1C(C)CCCC1C
InChIInChI=1S/C15H30N2O/c1-6-17(7-2)15(18)13(5)16-14-11(3)9-8-10-12(14)4/h11-14,16H,6-10H2,1-5H3
InChIKeySNHSXCHBKMDGGU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds5

About 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide

2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide (PubChem CID 43739395) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
PubChem CID43739395
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1C(C)CCCC1C
InChIInChI=1S/C15H30N2O/c1-6-17(7-2)15(18)13(5)16-14-11(3)9-8-10-12(14)4/h11-14,16H,6-10H2,1-5H3
InChIKeySNHSXCHBKMDGGU-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102734004
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
N,N-diethyl-2-[(3-methoxycyclohexyl)amino]propanamide
CID 112703045
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 113260733
2-(cyclobutylamino)-N-ethyl-N-methylpropanamide
CID 103108088
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide (CID 43739395) is 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC1C(C)CCCC1C.
What is the InChIKey of 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide?
The InChIKey is SNHSXCHBKMDGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-17(7-2)15(18)13(5)16-14-11(3)9-8-10-12(14)4/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide?
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 43739395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).