2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine

C18H30N2O2 — CID 120966267

IUPAC2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
SMILESCOCc1cccc(OCC2(CN(C)C(C)CN)CCC2)c1
InChIInChI=1S/C18H30N2O2/c1-15(11-19)20(2)13-18(8-5-9-18)14-22-17-7-4-6-16(10-17)12-21-3/h4,6-7,10,15H,5,8-9,11-14,19H2,1-3H3
InChIKeyCFXDIXBHFZUKSN-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.66
Rot. Bonds9

About 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine

2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 120966267) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
PubChem CID120966267
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
SMILESCOCc1cccc(OCC2(CN(C)C(C)CN)CCC2)c1
InChIInChI=1S/C18H30N2O2/c1-15(11-19)20(2)13-18(8-5-9-18)14-22-17-7-4-6-16(10-17)12-21-3/h4,6-7,10,15H,5,8-9,11-14,19H2,1-3H3
InChIKeyCFXDIXBHFZUKSN-UHFFFAOYSA-N
XLogP2.66
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967314
1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
CID 120965786
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
CID 120967118
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
CID 65001286
(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
CID 120966660
4-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-[(S)-methylsulfinyl]-1,2,4-triazole
CID 97063143
3-cyclopropyl-4-ethyl-5-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methylsulfanyl]-1,2,4-triazole
CID 71905891
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine (CID 120966267) is 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine is COCc1cccc(OCC2(CN(C)C(C)CN)CCC2)c1.
What is the InChIKey of 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is CFXDIXBHFZUKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15(11-19)20(2)13-18(8-5-9-18)14-22-17-7-4-6-16(10-17)12-21-3/h4,6-7,10,15H,5,8-9,11-14,19H2,1-3H3.
What are the key properties of 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine?
2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 120966267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).