[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride

C13H27ClN4O2 — CID 119649300

IUPAC[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)N1CCCC1CNC.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-3-4-7-11(16-13(14)19)12(18)17-8-5-6-10(17)9-15-2;/h10-11,15H,3-9H2,1-2H3,(H3,14,16,19);1H
InChIKeyYWKADAMSACNECB-UHFFFAOYSA-N
MW306.84 g/mol
LogP0.85
Rot. Bonds7

About [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride

[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride (PubChem CID 119649300) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride.

Molecular Properties

Compound Name[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride
PubChem CID119649300
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC Name[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)N1CCCC1CNC.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-3-4-7-11(16-13(14)19)12(18)17-8-5-6-10(17)9-15-2;/h10-11,15H,3-9H2,1-2H3,(H3,14,16,19);1H
InChIKeyYWKADAMSACNECB-UHFFFAOYSA-N
XLogP0.85
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride with MolForge

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Related Compounds

[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea
CID 95603907
[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
CID 124725714
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
2,2-difluoro-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103514142
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
N'-hydroxy-1-(2-methylhexanoyl)pyrrolidine-2-carboximidamide
CID 114246956
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
CID 119313331
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120607621

Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride?
The IUPAC name of [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride (CID 119649300) is [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride.
What is the SMILES notation for [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride?
The canonical SMILES for [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride is CCCCC(NC(N)=O)C(=O)N1CCCC1CNC.Cl.
What is the InChIKey of [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride?
The InChIKey is YWKADAMSACNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-3-4-7-11(16-13(14)19)12(18)17-8-5-6-10(17)9-15-2;/h10-11,15H,3-9H2,1-2H3,(H3,14,16,19);1H.
What are the key properties of [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride?
[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride is sourced from PubChem (CID 119649300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).