4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine

C17H33NO — CID 114622303

IUPAC4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine
SMILESCC1(C)CCCC(N)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-14(2)8-7-9-17(18,11-10-14)13-12-15(3,4)19-16(13,5)6/h13H,7-12,18H2,1-6H3
InChIKeyNGKJFKMYDALEQL-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.27
Rot. Bonds1

About 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine

4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine (PubChem CID 114622303) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine
PubChem CID114622303
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine
SMILESCC1(C)CCCC(N)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H33NO/c1-14(2)8-7-9-17(18,11-10-14)13-12-15(3,4)19-16(13,5)6/h13H,7-12,18H2,1-6H3
InChIKeyNGKJFKMYDALEQL-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine (CID 114622303) is 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine is CC1(C)CCCC(N)(C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine?
The InChIKey is NGKJFKMYDALEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)8-7-9-17(18,11-10-14)13-12-15(3,4)19-16(13,5)6/h13H,7-12,18H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine?
4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 114622303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).