N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

C16H26N2O — CID 54810069

IUPACN'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CNCCNC2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-19-16-9-7-14(8-10-16)13-17-11-12-18-15-5-3-2-4-6-15/h7-10,15,17-18H,2-6,11-13H2,1H3
InChIKeyLPWAXPTZFUILJD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds7

About N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54810069) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54810069
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CNCCNC2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-19-16-9-7-14(8-10-16)13-17-11-12-18-15-5-3-2-4-6-15/h7-10,15,17-18H,2-6,11-13H2,1H3
InChIKeyLPWAXPTZFUILJD-UHFFFAOYSA-N
XLogP2.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-benzyl-N'-cyclobutylethane-1,2-diamine
CID 71627766
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 171352452
N-cyclopentyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62563443
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-methoxybenzenesulfonamide
CID 139937566
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 54810069) is N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is COc1ccc(CNCCNC2CCCCC2)cc1.
What is the InChIKey of N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is LPWAXPTZFUILJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-16-9-7-14(8-10-16)13-17-11-12-18-15-5-3-2-4-6-15/h7-10,15,17-18H,2-6,11-13H2,1H3.
What are the key properties of N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54810069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).