1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

C15H28N2O — CID 113239651

IUPAC1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESCCN(CC)C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H28N2O/c1-6-17(7-2)13(18)16-12-14(3,4)11-8-9-15(12,5)10-11/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyLKIVSRHVPNSWFC-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.25
Rot. Bonds3

About 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (PubChem CID 113239651) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
PubChem CID113239651
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
SMILESCCN(CC)C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H28N2O/c1-6-17(7-2)13(18)16-12-14(3,4)11-8-9-15(12,5)10-11/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyLKIVSRHVPNSWFC-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 64676714
2-hydroxyethyl N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345831
3-(aminomethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
CID 81079148
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 107030769
2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 79270895
1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
CID 66047372
3-amino-2-methoxy-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 106112965
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978835
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
5-amino-2-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pentanamide
CID 104685167
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butanamide
CID 77045551

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The IUPAC name of 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea (CID 113239651) is 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The canonical SMILES for 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is CCN(CC)C(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
The InChIKey is LKIVSRHVPNSWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-17(7-2)13(18)16-12-14(3,4)11-8-9-15(12,5)10-11/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea?
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea has a molecular weight of 252.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea is sourced from PubChem (CID 113239651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).