[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea

C14H25N3O — CID 7324857

IUPAC[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
SMILESCC/C(=N/NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C14H25N3O/c1-5-11(16-17-12(15)18)9-8-14(4)7-6-10(9)13(14,2)3/h9-10H,5-8H2,1-4H3,(H3,15,17,18)/b16-11-/t9-,10-,14-/m1/s1
InChIKeyXOEPTCGYDLHANO-PQFIPVRHSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds3

About [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea

[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea (PubChem CID 7324857) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
PubChem CID7324857
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
SMILESCC/C(=N/NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@H]1C2(C)C
InChIInChI=1S/C14H25N3O/c1-5-11(16-17-12(15)18)9-8-14(4)7-6-10(9)13(14,2)3/h9-10H,5-8H2,1-4H3,(H3,15,17,18)/b16-11-/t9-,10-,14-/m1/s1
InChIKeyXOEPTCGYDLHANO-PQFIPVRHSA-N
XLogP2.88
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
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'}

Analyze [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 11897562
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
CID 11897566
(NE)-N-[1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylidene]hydroxylamine
CID 51405756
2-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 99646802
N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine
CID 2750895
[(Z)-1-[(1S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]propylideneamino]urea
CID 172965578
[(1R,2S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 7054470
[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389944
(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2-methylbutanoate
CID 59503155
cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
CID 7159280
[(Z)-1-[(1R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]ethylideneamino]urea
CID 172965576
[(Z)-1-[(1S,2S)-2-tert-butyl-2-methylcyclopropyl]ethylideneamino]urea
CID 5405593

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea?
The IUPAC name of [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea (CID 7324857) is [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea?
The canonical SMILES for [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea is CC/C(=N/NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@H]1C2(C)C.
What is the InChIKey of [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea?
The InChIKey is XOEPTCGYDLHANO-PQFIPVRHSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-11(16-17-12(15)18)9-8-14(4)7-6-10(9)13(14,2)3/h9-10H,5-8H2,1-4H3,(H3,15,17,18)/b16-11-/t9-,10-,14-/m1/s1.
What are the key properties of [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea?
[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea has a molecular weight of 251.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea is sourced from PubChem (CID 7324857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).