1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine

C14H29NO2 — CID 112590376

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
SMILESCC(C)(C)OCCOCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)17-11-10-16-12-14(15)8-6-4-5-7-9-14/h4-12,15H2,1-3H3
InChIKeyCMMAOQHVNBCYQE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine

1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine (PubChem CID 112590376) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
PubChem CID112590376
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
SMILESCC(C)(C)OCCOCC1(N)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-13(2,3)17-11-10-16-12-14(15)8-6-4-5-7-9-14/h4-12,15H2,1-3H3
InChIKeyCMMAOQHVNBCYQE-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.87
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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
1-(2-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601
1-[2-(dimethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64549368
1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474
1-(pent-3-ynoxymethyl)cyclohexan-1-amine
CID 104808636
1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
CID 114525846
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
3-[(1-aminocyclopentyl)methoxy]propan-1-ol
CID 106938228
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
1-[(1-aminocyclohexyl)methoxy]-2,3-dimethylbutan-2-ol
CID 106940012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine (CID 112590376) is 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine is CC(C)(C)OCCOCC1(N)CCCCCC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine?
The InChIKey is CMMAOQHVNBCYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)17-11-10-16-12-14(15)8-6-4-5-7-9-14/h4-12,15H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine?
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 112590376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).