1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea

C16H29N3O — CID 75374838

IUPAC1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H29N3O/c1-3-5-11-8-15(11)18-16(20)17-12-9-13-6-4-7-14(10-12)19(13)2/h11-15H,3-10H2,1-2H3,(H2,17,18,20)
InChIKeyPBRGLDYHLCXGDH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.49
Rot. Bonds4

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

1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea (PubChem CID 75374838) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea.

Molecular Properties

Compound Name1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea
PubChem CID75374838
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H29N3O/c1-3-5-11-8-15(11)18-16(20)17-12-9-13-6-4-7-14(10-12)19(13)2/h11-15H,3-10H2,1-2H3,(H2,17,18,20)
InChIKeyPBRGLDYHLCXGDH-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-(2-propylcyclopropyl)urea
CID 71925999
4-[(2-propylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114111471
1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
1-(1-hydroxypropan-2-yl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508639
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
1-(4-hydroxy-2-methylbutyl)-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111508663
(2R)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 79009025
1-ethyl-1-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 113246620
(2S)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65471471
2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]propanoic acid
CID 65472991
1-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129432833

Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea?
The IUPAC name of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea (CID 75374838) is 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea.
What is the SMILES notation for 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea?
The canonical SMILES for 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea is CCCC1CC1NC(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea?
The InChIKey is PBRGLDYHLCXGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-5-11-8-15(11)18-16(20)17-12-9-13-6-4-7-14(10-12)19(13)2/h11-15H,3-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea?
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea has a molecular weight of 279.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea is sourced from PubChem (CID 75374838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).