4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine

C15H29NO — CID 65088248

IUPAC4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-15(2)8-3-4-14(5-9-15)16-12-13-6-10-17-11-7-13/h13-14,16H,3-12H2,1-2H3
InChIKeyGHANZYSVKPJVFC-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine

4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine (PubChem CID 65088248) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
PubChem CID65088248
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-15(2)8-3-4-14(5-9-15)16-12-13-6-10-17-11-7-13/h13-14,16H,3-12H2,1-2H3
InChIKeyGHANZYSVKPJVFC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine (CID 65088248) is 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine is CC1(C)CCCC(NCC2CCOCC2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is GHANZYSVKPJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2)8-3-4-14(5-9-15)16-12-13-6-10-17-11-7-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine?
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65088248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).