3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride

C13H27ClN2O — CID 119510156

IUPAC3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
SMILESCCC(CC(=O)NCC1CCCN1)C(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-11(10(2)3)8-13(16)15-9-12-6-5-7-14-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeySRRSRFBXTVZYJB-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds6

About 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride

3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride (PubChem CID 119510156) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
PubChem CID119510156
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
SMILESCCC(CC(=O)NCC1CCCN1)C(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-11(10(2)3)8-13(16)15-9-12-6-5-7-14-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeySRRSRFBXTVZYJB-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide
CID 70821146
3-butyl-N-[[(2S)-pyrrolidin-2-yl]methyl]octanamide
CID 70821149
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
3-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514786

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
The IUPAC name of 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride (CID 119510156) is 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride.
What is the SMILES notation for 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
The canonical SMILES for 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride is CCC(CC(=O)NCC1CCCN1)C(C)C.Cl.
What is the InChIKey of 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
The InChIKey is SRRSRFBXTVZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-11(10(2)3)8-13(16)15-9-12-6-5-7-14-12;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).