2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide

C14H28N2O — CID 93282401

IUPAC2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN[C@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-14(2,3)11-8-6-7-9-12(11)15-10-13(17)16(4)5/h11-12,15H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyDDIOPXRIDRCGHI-NEPJUHHUSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds3

About 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide

2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide (PubChem CID 93282401) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide
PubChem CID93282401
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN[C@H]1CCCC[C@H]1C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-14(2,3)11-8-6-7-9-12(11)15-10-13(17)16(4)5/h11-12,15H,6-10H2,1-5H3/t11-,12+/m1/s1
InChIKeyDDIOPXRIDRCGHI-NEPJUHHUSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide (CID 93282401) is 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CN[C@H]1CCCC[C@H]1C(C)(C)C.
What is the InChIKey of 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide?
The InChIKey is DDIOPXRIDRCGHI-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)11-8-6-7-9-12(11)15-10-13(17)16(4)5/h11-12,15H,6-10H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide?
2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide has a molecular weight of 240.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 93282401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).