N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide

C16H32N2O — CID 112700337

IUPACN-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide
SMILESCC1CC(NC(C)C(=O)NC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-11-8-13(10-16(6,7)9-11)17-12(2)14(19)18-15(3,4)5/h11-13,17H,8-10H2,1-7H3,(H,18,19)
InChIKeyNXGUIQNXUIUOAW-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.09
Rot. Bonds3

About N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide

N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide (PubChem CID 112700337) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide
PubChem CID112700337
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide
SMILESCC1CC(NC(C)C(=O)NC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-11-8-13(10-16(6,7)9-11)17-12(2)14(19)18-15(3,4)5/h11-13,17H,8-10H2,1-7H3,(H,18,19)
InChIKeyNXGUIQNXUIUOAW-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
CID 115889688
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
CID 106344401
(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-[(2,4-dimethylcyclohexyl)amino]propanamide
CID 63995714
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide
CID 115731804

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide (CID 112700337) is N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide is CC1CC(NC(C)C(=O)NC(C)(C)C)CC(C)(C)C1.
What is the InChIKey of N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
The InChIKey is NXGUIQNXUIUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11-8-13(10-16(6,7)9-11)17-12(2)14(19)18-15(3,4)5/h11-13,17H,8-10H2,1-7H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide has a molecular weight of 268.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,3,5-trimethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 112700337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).