3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide

C17H34N2O — CID 106610480

IUPAC3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide
SMILESCCCN(CC1CCCN1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-6-10-19(13-15-8-7-9-18-15)16(20)11-14(2)12-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeySPBVPCBOSUCKSS-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.44
Rot. Bonds7

About 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide

3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide (PubChem CID 106610480) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide
PubChem CID106610480
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide
SMILESCCCN(CC1CCCN1)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C17H34N2O/c1-6-10-19(13-15-8-7-9-18-15)16(20)11-14(2)12-17(3,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeySPBVPCBOSUCKSS-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106610288
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
N,2-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanamide
CID 106610385
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclobutanecarboxamide
CID 106610516
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
2-cycloheptyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625612
2-methoxy-2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 114106076
2,2-difluoro-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625526
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide (CID 106610480) is 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide is CCCN(CC1CCCN1)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide?
The InChIKey is SPBVPCBOSUCKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-10-19(13-15-8-7-9-18-15)16(20)11-14(2)12-17(3,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide?
3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide has a molecular weight of 282.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)hexanamide is sourced from PubChem (CID 106610480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).