3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea

C11H23N3O — CID 90680029

IUPAC3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)N[C@H]1CC[C@@H]1N(C)C
InChIInChI=1S/C11H23N3O/c1-5-14(6-2)11(15)12-9-7-8-10(9)13(3)4/h9-10H,5-8H2,1-4H3,(H,12,15)/t9-,10-/m0/s1
InChIKeyTXRXRSIQOGENBQ-UWVGGRQHSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds4

About 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea

3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea (PubChem CID 90680029) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea
PubChem CID90680029
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)N[C@H]1CC[C@@H]1N(C)C
InChIInChI=1S/C11H23N3O/c1-5-14(6-2)11(15)12-9-7-8-10(9)13(3)4/h9-10H,5-8H2,1-4H3,(H,12,15)/t9-,10-/m0/s1
InChIKeyTXRXRSIQOGENBQ-UWVGGRQHSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urea, 1,1-dibutyl-3-ethyl-
CID 3040358
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
3-(3-(Dimethylamino)butyl)-1,1-dimethylurea
CID 44570098
N-Butyl-N'-propan-2-ylurea
CID 14984935
N,N-Dibutyl-N'-propylurea
CID 85827006
N-Isopropylpiperazine-1-carboxamide
CID 16740267
3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
CID 53933480
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N,N-diethyl-N'-butylurea
CID 5041064

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea?
The IUPAC name of 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea (CID 90680029) is 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea?
The canonical SMILES for 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea is CCN(CC)C(=O)N[C@H]1CC[C@@H]1N(C)C.
What is the InChIKey of 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea?
The InChIKey is TXRXRSIQOGENBQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-14(6-2)11(15)12-9-7-8-10(9)13(3)4/h9-10H,5-8H2,1-4H3,(H,12,15)/t9-,10-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea?
3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea has a molecular weight of 213.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-(dimethylamino)cyclobutyl]-1,1-diethylurea is sourced from PubChem (CID 90680029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).