N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine

C18H30N2O — CID 138657743

IUPACN'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
SMILESCNCCN(CCOCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H30N2O/c1-19-12-13-20(18-10-6-3-7-11-18)14-15-21-16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3
InChIKeyHSSIOUKYLDCQOJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.06
Rot. Bonds9

About N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine

N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine (PubChem CID 138657743) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
PubChem CID138657743
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
SMILESCNCCN(CCOCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H30N2O/c1-19-12-13-20(18-10-6-3-7-11-18)14-15-21-16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3
InChIKeyHSSIOUKYLDCQOJ-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 131141450
N-methyl-N-[7-(4-phenylmethoxyphenoxy)heptyl]cyclohexanamine
CID 54113612
N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine
CID 129015804
N-(2-benzylsulfanylethyl)-N'-cyclopentyl-N'-propylethane-1,2-diamine
CID 118585253
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
N-(2-benzylsulfanylethyl)-N'-butyl-N'-cyclohexylethane-1,2-diamine;N-(2-benzylsulfanylethyl)-N'-butyl-N'-cyclopentylethane-1,2-diamine
CID 144977010
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
cyclohexanamine;2-phenylmethoxyethanol
CID 143913686
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine (CID 138657743) is N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine is CNCCN(CCOCc1ccccc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
The InChIKey is HSSIOUKYLDCQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-19-12-13-20(18-10-6-3-7-11-18)14-15-21-16-17-8-4-2-5-9-17/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3.
What are the key properties of N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine?
N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 138657743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).