3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide

C13H26N2O — CID 43603556

IUPAC3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
SMILESCC(CC(=O)NC1CCNC1)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(8-13(2,3)4)7-12(16)15-11-5-6-14-9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyKDHZYQXBLOPZHD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds4

About 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide

3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide (PubChem CID 43603556) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
PubChem CID43603556
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
SMILESCC(CC(=O)NC1CCNC1)CC(C)(C)C
InChIInChI=1S/C13H26N2O/c1-10(8-13(2,3)4)7-12(16)15-11-5-6-14-9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyKDHZYQXBLOPZHD-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
3-methyl-N-piperidin-4-ylpentanamide
CID 112703814
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
CID 103866535
N-pyrrolidin-3-ylpropanamide
CID 18337238
3-methyl-N-piperidin-4-ylhexanamide;hydrochloride
CID 119388134
2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
CID 142337471
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide
CID 114189113
4-(2-methoxyphenyl)-3-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449852
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
CID 79886443
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
The IUPAC name of 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide (CID 43603556) is 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide is CC(CC(=O)NC1CCNC1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
The InChIKey is KDHZYQXBLOPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(8-13(2,3)4)7-12(16)15-11-5-6-14-9-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide?
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide is sourced from PubChem (CID 43603556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).