1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea

C15H26N2O — CID 26974944

IUPAC1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
SMILESO=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h11-14H,1-10H2,(H2,16,17,18)/t11-,12+,13-/m0/s1
InChIKeyIDDUDPNAGNHWGI-XQQFMLRXSA-N
MW250.39 g/mol
LogP3.05
Rot. Bonds3

About 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea

1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea (PubChem CID 26974944) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
PubChem CID26974944
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea
SMILESO=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h11-14H,1-10H2,(H2,16,17,18)/t11-,12+,13-/m0/s1
InChIKeyIDDUDPNAGNHWGI-XQQFMLRXSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
1-cyclohexyl-3-[(2-methylcyclopropyl)methyl]urea
CID 115582567
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
CID 63684817
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
(2S)-N-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119756599
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea?
The IUPAC name of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea (CID 26974944) is 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea?
The canonical SMILES for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea is O=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CCCCC1.
What is the InChIKey of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea?
The InChIKey is IDDUDPNAGNHWGI-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(17-14-4-2-1-3-5-14)16-10-13-9-11-6-7-12(13)8-11/h11-14H,1-10H2,(H2,16,17,18)/t11-,12+,13-/m0/s1.
What are the key properties of 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea?
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea has a molecular weight of 250.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-cyclohexylurea is sourced from PubChem (CID 26974944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).