N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide

C13H23NO — CID 134792256

IUPACN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C13H23NO/c1-4-12(15)14-8-9-5-6-10-7-11(9)13(10,2)3/h9-11H,4-8H2,1-3H3,(H,14,15)/t9-,10-,11-/m0/s1
InChIKeyHCIDUDCPAMSDJW-DCAQKATOSA-N
MW209.33 g/mol
LogP2.58
Rot. Bonds3

About N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide

N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide (PubChem CID 134792256) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide
PubChem CID134792256
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C13H23NO/c1-4-12(15)14-8-9-5-6-10-7-11(9)13(10,2)3/h9-11H,4-8H2,1-3H3,(H,14,15)/t9-,10-,11-/m0/s1
InChIKeyHCIDUDCPAMSDJW-DCAQKATOSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
CID 134792774
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]cyclopropanecarboxamide
CID 134793055
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
CID 134794753
(1S)-N-ethyl-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 134223969
N-(((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methyl)acrylamide
CID 138059772
N-[2-(1-adamantyl)ethyl]propanamide
CID 2919430
5-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)-3-methylpyrrolidin-2-one
CID 133106833
N-(2-cyclohexyl-2-propylpentyl)acetamide
CID 278463
N-(adamantanylmethyl)-2-methylpropanamide
CID 4564924
N-ethyl-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide
CID 18712274
N-(1-adamantylmethyl)propanamide
CID 21974142
2,2-dimethyl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)butanamide
CID 22082200

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide?
The IUPAC name of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide (CID 134792256) is N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide.
What is the SMILES notation for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide?
The canonical SMILES for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide is CCC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide?
The InChIKey is HCIDUDCPAMSDJW-DCAQKATOSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-12(15)14-8-9-5-6-10-7-11(9)13(10,2)3/h9-11H,4-8H2,1-3H3,(H,14,15)/t9-,10-,11-/m0/s1.
What are the key properties of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide?
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide has a molecular weight of 209.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]propanamide is sourced from PubChem (CID 134792256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).