2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride

C9H19ClN2O — CID 172876281

IUPAC2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(C)C(=O)NCC1CCNC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-6-8-3-4-10-5-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyYECNZMRAECZGHF-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride

2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 172876281) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID172876281
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
SMILESCC(C)C(=O)NCC1CCNC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-6-8-3-4-10-5-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyYECNZMRAECZGHF-UHFFFAOYSA-N
XLogP0.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
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2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate
CID 80563571
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
CID 130697516
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride (CID 172876281) is 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride is CC(C)C(=O)NCC1CCNC1.Cl.
What is the InChIKey of 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is YECNZMRAECZGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7(2)9(12)11-6-8-3-4-10-5-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride?
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 172876281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).