N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine

C18H28N2O — CID 11098201

IUPACN-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(/C=N/[C@@H]2CCCC[C@@H]2CNC(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)19-13-16-6-4-5-7-18(16)20-12-15-8-10-17(21-3)11-9-15/h8-12,14,16,18-19H,4-7,13H2,1-3H3/b20-12+/t16-,18-/m1/s1
InChIKeyTUDIRMPHYUEQTK-URFUOSOHSA-N
MW288.44 g/mol
LogP3.67
Rot. Bonds6

About N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine

N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine (PubChem CID 11098201) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine
PubChem CID11098201
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(/C=N/[C@@H]2CCCC[C@@H]2CNC(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-14(2)19-13-16-6-4-5-7-18(16)20-12-15-8-10-17(21-3)11-9-15/h8-12,14,16,18-19H,4-7,13H2,1-3H3/b20-12+/t16-,18-/m1/s1
InChIKeyTUDIRMPHYUEQTK-URFUOSOHSA-N
XLogP3.67
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11348682
N-[[2-[2-(4-methoxyphenyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 81027041
N-[[2-[(2-bromo-5-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81027318
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
1-(4-methoxyphenyl)-N-[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]methanimine
CID 6542741
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine (CID 11098201) is N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine is COc1ccc(/C=N/[C@@H]2CCCC[C@@H]2CNC(C)C)cc1.
What is the InChIKey of N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine?
The InChIKey is TUDIRMPHYUEQTK-URFUOSOHSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)19-13-16-6-4-5-7-18(16)20-12-15-8-10-17(21-3)11-9-15/h8-12,14,16,18-19H,4-7,13H2,1-3H3/b20-12+/t16-,18-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine?
N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 11098201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).