[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea

C12H22N2O — CID 145237634

IUPAC[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea
SMILESCC1CC2C[C@H](C1)CC(C)(NC(N)=O)C2
InChIInChI=1S/C12H22N2O/c1-8-3-9-5-10(4-8)7-12(2,6-9)14-11(13)15/h8-10H,3-7H2,1-2H3,(H3,13,14,15)/t8?,9-,10?,12?/m0/s1
InChIKeyNEQWWWDLRVFTJA-TXKMRWCBSA-N
MW210.32 g/mol
LogP2.26
Rot. Bonds1

About [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea

[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea (PubChem CID 145237634) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea.

Molecular Properties

Compound Name[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea
PubChem CID145237634
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea
SMILESCC1CC2C[C@H](C1)CC(C)(NC(N)=O)C2
InChIInChI=1S/C12H22N2O/c1-8-3-9-5-10(4-8)7-12(2,6-9)14-11(13)15/h8-10H,3-7H2,1-2H3,(H3,13,14,15)/t8?,9-,10?,12?/m0/s1
InChIKeyNEQWWWDLRVFTJA-TXKMRWCBSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-oxobutanamide
CID 135280886
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-methylmethanamine
CID 142169685
N-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-ethoxy-4-phenylsulfanyl-1,2-oxazole-5-carboxamide
CID 66827255
adamantane-1-carboxamide
CID 21686
(1,4-dimethylpiperidin-4-yl)urea
CID 90712934
N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
CID 80587740
2-methyladamantane-1-carboxamide
CID 18421545
(2R)-2-(1-adamantylamino)propanamide
CID 9358538
[(1R)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]azanium
CID 7482124
[(1S,4S)-4-(carbamoylamino)-1,3,3-trimethylcyclohexyl]urea
CID 40534520
2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)sulfonylamino]ethanesulfonic acid
CID 134285788
1-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-3-[(E)-4-imino-6-phenyloct-5-enyl]urea
CID 154645551

Frequently Asked Questions

What is the IUPAC name of [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea?
The IUPAC name of [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea (CID 145237634) is [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea.
What is the SMILES notation for [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea?
The canonical SMILES for [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea is CC1CC2C[C@H](C1)CC(C)(NC(N)=O)C2.
What is the InChIKey of [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea?
The InChIKey is NEQWWWDLRVFTJA-TXKMRWCBSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-3-9-5-10(4-8)7-12(2,6-9)14-11(13)15/h8-10H,3-7H2,1-2H3,(H3,13,14,15)/t8?,9-,10?,12?/m0/s1.
What are the key properties of [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea?
[(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea has a molecular weight of 210.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]urea is sourced from PubChem (CID 145237634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).