1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea

C11H21N3O — CID 121218221

IUPAC1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILESCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C11H21N3O/c1-13(2)11(15)12-8-6-9-4-5-10(7-8)14(9)3/h8-10H,4-7H2,1-3H3,(H,12,15)/t8?,9-,10+
InChIKeyMLNRVGWSBKFHQJ-PBINXNQUSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds1

About 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea

1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea (PubChem CID 121218221) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
PubChem CID121218221
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
SMILESCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C11H21N3O/c1-13(2)11(15)12-8-6-9-4-5-10(7-8)14(9)3/h8-10H,4-7H2,1-3H3,(H,12,15)/t8?,9-,10+
InChIKeyMLNRVGWSBKFHQJ-PBINXNQUSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea with MolForge

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Related Compounds

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 113246620
2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 67833389
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
3-(3-methoxycyclobutyl)-1,1-dimethylurea
CID 104581744
1,1-dimethyl-3-(oxolan-3-yl)urea
CID 110868817
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea (CID 121218221) is 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea is CN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
The InChIKey is MLNRVGWSBKFHQJ-PBINXNQUSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13(2)11(15)12-8-6-9-4-5-10(7-8)14(9)3/h8-10H,4-7H2,1-3H3,(H,12,15)/t8?,9-,10+.
What are the key properties of 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea?
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea has a molecular weight of 211.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea is sourced from PubChem (CID 121218221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).