1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

C15H29N3O2 — CID 111508663

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCC(CCO)CNC(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H29N3O2/c1-11(6-7-19)10-16-15(20)17-12-8-13-4-3-5-14(9-12)18(13)2/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)
InChIKeyQPPHXXUJASCKFB-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.32
Rot. Bonds5

About 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea

1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (PubChem CID 111508663) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
PubChem CID111508663
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILESCC(CCO)CNC(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H29N3O2/c1-11(6-7-19)10-16-15(20)17-12-8-13-4-3-5-14(9-12)18(13)2/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)
InChIKeyQPPHXXUJASCKFB-UHFFFAOYSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxymethyl-piperidine-1-carboxylic acid isopropylamide
CID 60781170
(6S)-1-decyl-6-(hydroxymethyl)-1,3-diazinan-2-one
CID 46197906
N-cyclohexyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 60781106
4-[(4-Hydroxy-2-methylbutyl)amino]piperidine-1-carboxamide
CID 66089894
1-(1-Hydroxypentan-3-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 71868148
1-(1-Cyclopropyl-3-hydroxypropyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 75375394
2-Methyl-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]butanoic acid
CID 80541295
3-Methyl-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]butanoic acid
CID 81068045
4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202408
4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202916
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
CID 84601030
1-[(3S)-1-hydroxypentan-3-yl]-3-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 95948565

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea (CID 111508663) is 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is CC(CCO)CNC(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
The InChIKey is QPPHXXUJASCKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(6-7-19)10-16-15(20)17-12-8-13-4-3-5-14(9-12)18(13)2/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea has a molecular weight of 283.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea is sourced from PubChem (CID 111508663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).