3,4-diethyl-6,6-dimethylcyclooctan-1-amine

C14H29N — CID 166972980

IUPAC3,4-diethyl-6,6-dimethylcyclooctan-1-amine
SMILESCCC1CC(N)CCC(C)(C)CC1CC
InChIInChI=1S/C14H29N/c1-5-11-9-13(15)7-8-14(3,4)10-12(11)6-2/h11-13H,5-10,15H2,1-4H3
InChIKeyIQYVTONORXLLNB-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.97
Rot. Bonds2

About 3,4-diethyl-6,6-dimethylcyclooctan-1-amine

3,4-diethyl-6,6-dimethylcyclooctan-1-amine (PubChem CID 166972980) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3,4-diethyl-6,6-dimethylcyclooctan-1-amine.

Molecular Properties

Compound Name3,4-diethyl-6,6-dimethylcyclooctan-1-amine
PubChem CID166972980
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3,4-diethyl-6,6-dimethylcyclooctan-1-amine
SMILESCCC1CC(N)CCC(C)(C)CC1CC
InChIInChI=1S/C14H29N/c1-5-11-9-13(15)7-8-14(3,4)10-12(11)6-2/h11-13H,5-10,15H2,1-4H3
InChIKeyIQYVTONORXLLNB-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-6,6-dimethylcyclooctan-1-amine?
The IUPAC name of 3,4-diethyl-6,6-dimethylcyclooctan-1-amine (CID 166972980) is 3,4-diethyl-6,6-dimethylcyclooctan-1-amine.
What is the SMILES notation for 3,4-diethyl-6,6-dimethylcyclooctan-1-amine?
The canonical SMILES for 3,4-diethyl-6,6-dimethylcyclooctan-1-amine is CCC1CC(N)CCC(C)(C)CC1CC.
What is the InChIKey of 3,4-diethyl-6,6-dimethylcyclooctan-1-amine?
The InChIKey is IQYVTONORXLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-11-9-13(15)7-8-14(3,4)10-12(11)6-2/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 3,4-diethyl-6,6-dimethylcyclooctan-1-amine?
3,4-diethyl-6,6-dimethylcyclooctan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6,6-dimethylcyclooctan-1-amine is sourced from PubChem (CID 166972980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).