N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine

C18H30N2O — CID 39396373

IUPACN'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCOc1cccc(CN(CCN)C2CCCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-2-21-18-11-7-8-16(14-18)15-20(13-12-19)17-9-5-3-4-6-10-17/h7-8,11,14,17H,2-6,9-10,12-13,15,19H2,1H3
InChIKeyGHYROVYPZTTZAA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds7

About N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine

N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 39396373) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID39396373
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCOc1cccc(CN(CCN)C2CCCCCC2)c1
InChIInChI=1S/C18H30N2O/c1-2-21-18-11-7-8-16(14-18)15-20(13-12-19)17-9-5-3-4-6-10-17/h7-8,11,14,17H,2-6,9-10,12-13,15,19H2,1H3
InChIKeyGHYROVYPZTTZAA-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
CID 118760232
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
1-(3-cyclohexylpropyl)-3-ethoxybenzene
CID 91039884
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-cyclobutyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875051
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine (CID 39396373) is N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine is CCOc1cccc(CN(CCN)C2CCCCCC2)c1.
What is the InChIKey of N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is GHYROVYPZTTZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-21-18-11-7-8-16(14-18)15-20(13-12-19)17-9-5-3-4-6-10-17/h7-8,11,14,17H,2-6,9-10,12-13,15,19H2,1H3.
What are the key properties of N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine?
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 39396373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).