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

C16H30N2O — CID 134792774

IUPAC4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
SMILESCN(C)CCCC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C16H30N2O/c1-16(2)13-8-7-12(14(16)10-13)11-17-15(19)6-5-9-18(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyPQNLMZWXQXUALZ-IHRRRGAJSA-N
MW266.43 g/mol
LogP2.52
Rot. Bonds6

About 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide

4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide (PubChem CID 134792774) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
PubChem CID134792774
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide
SMILESCN(C)CCCC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C16H30N2O/c1-16(2)13-8-7-12(14(16)10-13)11-17-15(19)6-5-9-18(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)/t12-,13-,14-/m0/s1
InChIKeyPQNLMZWXQXUALZ-IHRRRGAJSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide (CID 134792774) is 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide is CN(C)CCCC(=O)NC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide?
The InChIKey is PQNLMZWXQXUALZ-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2)13-8-7-12(14(16)10-13)11-17-15(19)6-5-9-18(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)/t12-,13-,14-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide?
4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide has a molecular weight of 266.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]butanamide is sourced from PubChem (CID 134792774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).