3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide

C16H32N2O — CID 167229791

IUPAC3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide
SMILESCCC(C)(C)CC1C(NCCC(=O)N(C)C)C1(C)C
InChIInChI=1S/C16H32N2O/c1-8-15(2,3)11-12-14(16(12,4)5)17-10-9-13(19)18(6)7/h12,14,17H,8-11H2,1-7H3
InChIKeyVTYAPJQLBDPVQU-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.91
Rot. Bonds7

About 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide

3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide (PubChem CID 167229791) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide
PubChem CID167229791
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide
SMILESCCC(C)(C)CC1C(NCCC(=O)N(C)C)C1(C)C
InChIInChI=1S/C16H32N2O/c1-8-15(2,3)11-12-14(16(12,4)5)17-10-9-13(19)18(6)7/h12,14,17H,8-11H2,1-7H3
InChIKeyVTYAPJQLBDPVQU-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide (CID 167229791) is 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide is CCC(C)(C)CC1C(NCCC(=O)N(C)C)C1(C)C.
What is the InChIKey of 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide?
The InChIKey is VTYAPJQLBDPVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-8-15(2,3)11-12-14(16(12,4)5)17-10-9-13(19)18(6)7/h12,14,17H,8-11H2,1-7H3.
What are the key properties of 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide?
3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,2-dimethylbutyl)-2,2-dimethylcyclopropyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 167229791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).