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

C12H25ClN2O — CID 119511693

IUPAC3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
SMILESCCC(CC)CC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-10(4-2)8-12(15)14-9-11-6-5-7-13-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeySMZXZAVBNNYRLJ-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.10
Rot. Bonds6

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

3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride (PubChem CID 119511693) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
PubChem CID119511693
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
SMILESCCC(CC)CC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-10(4-2)8-12(15)14-9-11-6-5-7-13-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeySMZXZAVBNNYRLJ-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
3-butyl-N-[[(2S)-pyrrolidin-2-yl]methyl]octanamide
CID 70821149
3-butyl-N-[[(2R)-pyrrolidin-2-yl]methyl]octanamide
CID 70821146
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
2-propylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511742

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
The IUPAC name of 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride (CID 119511693) is 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride.
What is the SMILES notation for 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
The canonical SMILES for 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride is CCC(CC)CC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
The InChIKey is SMZXZAVBNNYRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-10(4-2)8-12(15)14-9-11-6-5-7-13-11;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride?
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride is sourced from PubChem (CID 119511693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).