3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine

C18H28N2O — CID 20692217

IUPAC3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine
SMILESC/C(=N\OCc1ccccc1)C1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-14(20-21-12-15-8-6-5-7-9-15)18(4)11-16(19)10-17(2,3)13-18/h5-9,16H,10-13,19H2,1-4H3/b20-14+
InChIKeyMAZUPPWERYRHMH-XSFVSMFZSA-N
MW288.43 g/mol
LogP4.12
Rot. Bonds4

About 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine

3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine (PubChem CID 20692217) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine
PubChem CID20692217
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine
SMILESC/C(=N\OCc1ccccc1)C1(C)CC(N)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-14(20-21-12-15-8-6-5-7-9-15)18(4)11-16(19)10-17(2,3)13-18/h5-9,16H,10-13,19H2,1-4H3/b20-14+
InChIKeyMAZUPPWERYRHMH-XSFVSMFZSA-N
XLogP4.12
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
bis(benzyl N-(3,3-dimethylcyclobutyl)carbamate);bis(3,3-dimethylcyclobutan-1-amine);propan-2-ol
CID 161347483
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 139967702
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
2-[2,2,4,4-tetramethyl-6-(phenylmethoxycarbonylamino)cyclohexyl]acetic acid
CID 165492107
(1R,6R)-1,3,3-trimethyl-5-phenylmethoxybicyclo[4.1.0]heptane
CID 10966767
(2E)-2-phenylmethoxyiminobutane-1,3-diol
CID 11138334
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine (CID 20692217) is 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine is C/C(=N\OCc1ccccc1)C1(C)CC(N)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine?
The InChIKey is MAZUPPWERYRHMH-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(20-21-12-15-8-6-5-7-9-15)18(4)11-16(19)10-17(2,3)13-18/h5-9,16H,10-13,19H2,1-4H3/b20-14+.
What are the key properties of 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine?
3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine is sourced from PubChem (CID 20692217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).