2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride

C16H34ClN3O — CID 119928311

IUPAC2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)N(CC(C)C)CC(C)C.Cl
InChIInChI=1S/C16H33N3O.ClH/c1-13(2)10-19(11-14(3)4)16(20)12-18-8-6-7-15(18)9-17-5;/h13-15,17H,6-12H2,1-5H3;1H
InChIKeyXJDOLNFIVVUXKL-UHFFFAOYSA-N
MW319.92 g/mol
LogP2.23
Rot. Bonds8

About 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride (PubChem CID 119928311) has the molecular formula C16H34ClN3O and a molecular weight of 319.92 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
PubChem CID119928311
Molecular FormulaC16H34ClN3O
Molecular Weight319.92 g/mol
Exact Mass319.24
IUPAC Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)N(CC(C)C)CC(C)C.Cl
InChIInChI=1S/C16H33N3O.ClH/c1-13(2)10-19(11-14(3)4)16(20)12-18-8-6-7-15(18)9-17-5;/h13-15,17H,6-12H2,1-5H3;1H
InChIKeyXJDOLNFIVVUXKL-UHFFFAOYSA-N
XLogP2.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
2-[2-(methylaminomethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 63250212
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441174
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490485
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
N-cyclopropyl-N-methyl-2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848709
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride (CID 119928311) is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride is CNCC1CCCN1CC(=O)N(CC(C)C)CC(C)C.Cl.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride?
The InChIKey is XJDOLNFIVVUXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.ClH/c1-13(2)10-19(11-14(3)4)16(20)12-18-8-6-7-15(18)9-17-5;/h13-15,17H,6-12H2,1-5H3;1H.
What are the key properties of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride?
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119928311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).