N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide

C14H26N2O — CID 79878206

IUPACN-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide
SMILESCC1(C)CCCCC1NC(=O)CC1CCNC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-4-3-5-12(14)16-13(17)9-11-6-8-15-10-11/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeySJYPKDYURLUSBE-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.07
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide

N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide (PubChem CID 79878206) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide
PubChem CID79878206
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide
SMILESCC1(C)CCCCC1NC(=O)CC1CCNC1
InChIInChI=1S/C14H26N2O/c1-14(2)7-4-3-5-12(14)16-13(17)9-11-6-8-15-10-11/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeySJYPKDYURLUSBE-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
2-pyrrolidin-3-yl-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
CID 103966571
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878300
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
2,2-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80554356
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide (CID 79878206) is N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide is CC1(C)CCCCC1NC(=O)CC1CCNC1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide?
The InChIKey is SJYPKDYURLUSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)7-4-3-5-12(14)16-13(17)9-11-6-8-15-10-11/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide?
N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide has a molecular weight of 238.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 79878206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).