3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide

C14H28N2O — CID 106344401

IUPAC3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
SMILESCC1CC(NC(C(N)=O)C(C)C)CC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-9(2)12(13(15)17)16-11-6-10(3)7-14(4,5)8-11/h9-12,16H,6-8H2,1-5H3,(H2,15,17)
InChIKeyPLOVBUGKYGJUFA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds4

About 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide

3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide (PubChem CID 106344401) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
PubChem CID106344401
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
SMILESCC1CC(NC(C(N)=O)C(C)C)CC(C)(C)C1
InChIInChI=1S/C14H28N2O/c1-9(2)12(13(15)17)16-11-6-10(3)7-14(4,5)8-11/h9-12,16H,6-8H2,1-5H3,(H2,15,17)
InChIKeyPLOVBUGKYGJUFA-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
(2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082557
(2S)-2-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082560
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 114985548
2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 43499568
N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide
CID 112700337
(2R)-2-[(3,3-dimethylcyclobutyl)amino]propanamide
CID 130678752
(2S)-2-[[(1S,5R)-3,3,5-trimethylcyclohexyl]amino]butan-1-ol
CID 92985928
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
CID 115889688
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylbutanamide
CID 106344509
methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
CID 103561043

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide (CID 106344401) is 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide is CC1CC(NC(C(N)=O)C(C)C)CC(C)(C)C1.
What is the InChIKey of 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide?
The InChIKey is PLOVBUGKYGJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)12(13(15)17)16-11-6-10(3)7-14(4,5)8-11/h9-12,16H,6-8H2,1-5H3,(H2,15,17).
What are the key properties of 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide?
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide is sourced from PubChem (CID 106344401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).