1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea

C17H29N3O — CID 6160811

IUPAC1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
SMILESCC12CCC(C/C1=N/NC(=O)NC1CCCCC1)C2(C)C
InChIInChI=1S/C17H29N3O/c1-16(2)12-9-10-17(16,3)14(11-12)19-20-15(21)18-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H2,18,20,21)/b19-14-
InChIKeyWTOPAVXMZDSENX-RGEXLXHISA-N
MW291.44 g/mol
LogP3.82
Rot. Bonds2

About 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea

1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea (PubChem CID 6160811) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
PubChem CID6160811
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
SMILESCC12CCC(C/C1=N/NC(=O)NC1CCCCC1)C2(C)C
InChIInChI=1S/C17H29N3O/c1-16(2)12-9-10-17(16,3)14(11-12)19-20-15(21)18-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H2,18,20,21)/b19-14-
InChIKeyWTOPAVXMZDSENX-RGEXLXHISA-N
XLogP3.82
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 584224
2-hydroxy-N-[(E)-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 25251646
methyl 4-[[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamoyl]benzoate
CID 9371298
1-ethyl-3-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiourea
CID 23375794
2-fluoro-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23328031
5-chloro-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
CID 23327905
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 75616266
tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
CID 9372150
2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea (CID 6160811) is 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea is CC12CCC(C/C1=N/NC(=O)NC1CCCCC1)C2(C)C.
What is the InChIKey of 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The InChIKey is WTOPAVXMZDSENX-RGEXLXHISA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2)12-9-10-17(16,3)14(11-12)19-20-15(21)18-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H2,18,20,21)/b19-14-.
What are the key properties of 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea has a molecular weight of 291.44 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea is sourced from PubChem (CID 6160811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).