N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine

C20H34N2O — CID 129015804

IUPACN'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine
SMILESCCN(CCNC)CC1CC(CCOCc2ccccc2)C1C
InChIInChI=1S/C20H34N2O/c1-4-22(12-11-21-3)15-20-14-19(17(20)2)10-13-23-16-18-8-6-5-7-9-18/h5-9,17,19-21H,4,10-16H2,1-3H3
InChIKeyNMANGPZQQJJNOZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.41
Rot. Bonds11

About N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine

N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine (PubChem CID 129015804) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine
PubChem CID129015804
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC NameN'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine
SMILESCCN(CCNC)CC1CC(CCOCc2ccccc2)C1C
InChIInChI=1S/C20H34N2O/c1-4-22(12-11-21-3)15-20-14-19(17(20)2)10-13-23-16-18-8-6-5-7-9-18/h5-9,17,19-21H,4,10-16H2,1-3H3
InChIKeyNMANGPZQQJJNOZ-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.41
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

2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 138657743
hydroxy-bis[(2-methylpropan-2-yl)oxy]-[(1R,2R)-2-(2-phenylmethoxyethyl)cyclopropyl]silane
CID 101497939
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447
butoxymethylbenzene;ethane
CID 145341806
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
N-ethyl-N-[[(2S,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methyl]ethanamine
CID 101140300
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
ethane;phenylmethoxymethylbenzene
CID 90943549
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
lithium;butoxymethylbenzene;hydride
CID 175482454

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine (CID 129015804) is N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine is CCN(CCNC)CC1CC(CCOCc2ccccc2)C1C.
What is the InChIKey of N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine?
The InChIKey is NMANGPZQQJJNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-4-22(12-11-21-3)15-20-14-19(17(20)2)10-13-23-16-18-8-6-5-7-9-18/h5-9,17,19-21H,4,10-16H2,1-3H3.
What are the key properties of N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine?
N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine has a molecular weight of 318.50 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-[[2-methyl-3-(2-phenylmethoxyethyl)cyclobutyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 129015804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).