N'-(3,3,5-trimethylcyclohexyl)butanediamide

C13H24N2O2 — CID 121317359

IUPACN'-(3,3,5-trimethylcyclohexyl)butanediamide
SMILESCC1CC(NC(=O)CCC(N)=O)CC(C)(C)C1
InChIInChI=1S/C13H24N2O2/c1-9-6-10(8-13(2,3)7-9)15-12(17)5-4-11(14)16/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYZIXBWHJCOYSAB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.58
Rot. Bonds4

About N'-(3,3,5-trimethylcyclohexyl)butanediamide

N'-(3,3,5-trimethylcyclohexyl)butanediamide (PubChem CID 121317359) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-(3,3,5-trimethylcyclohexyl)butanediamide.

Molecular Properties

Compound NameN'-(3,3,5-trimethylcyclohexyl)butanediamide
PubChem CID121317359
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN'-(3,3,5-trimethylcyclohexyl)butanediamide
SMILESCC1CC(NC(=O)CCC(N)=O)CC(C)(C)C1
InChIInChI=1S/C13H24N2O2/c1-9-6-10(8-13(2,3)7-9)15-12(17)5-4-11(14)16/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYZIXBWHJCOYSAB-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 831549
(1S)-2,2-dibromo-1-methyl-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 51405048
(1R)-2,2-dibromo-1-methyl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 27520887
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5S)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406909
1-[(1R,5S)-3,3,5-trimethylcyclohexyl]-3-[6-[[(1R,5R)-3,3,5-trimethylcyclohexyl]carbamoylamino]hexyl]urea
CID 25406912
(1R)-2,2-dichloro-1-methyl-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 6571789
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43724151
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butanamide
CID 106344401
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,5-trimethylcyclohexyl)butanediamide?
The IUPAC name of N'-(3,3,5-trimethylcyclohexyl)butanediamide (CID 121317359) is N'-(3,3,5-trimethylcyclohexyl)butanediamide.
What is the SMILES notation for N'-(3,3,5-trimethylcyclohexyl)butanediamide?
The canonical SMILES for N'-(3,3,5-trimethylcyclohexyl)butanediamide is CC1CC(NC(=O)CCC(N)=O)CC(C)(C)C1.
What is the InChIKey of N'-(3,3,5-trimethylcyclohexyl)butanediamide?
The InChIKey is YZIXBWHJCOYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-6-10(8-13(2,3)7-9)15-12(17)5-4-11(14)16/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N'-(3,3,5-trimethylcyclohexyl)butanediamide?
N'-(3,3,5-trimethylcyclohexyl)butanediamide has a molecular weight of 240.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,5-trimethylcyclohexyl)butanediamide is sourced from PubChem (CID 121317359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).