2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine

C14H29NO — CID 114340565

IUPAC2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine
SMILESCC1(C)CCC(OC(CN)C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-13(2,3)12(10-15)16-11-6-8-14(4,5)9-7-11/h11-12H,6-10,15H2,1-5H3
InChIKeyRUPXVADRPCPYOS-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.35
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine

2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine (PubChem CID 114340565) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine
PubChem CID114340565
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine
SMILESCC1(C)CCC(OC(CN)C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-13(2,3)12(10-15)16-11-6-8-14(4,5)9-7-11/h11-12H,6-10,15H2,1-5H3
InChIKeyRUPXVADRPCPYOS-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine (CID 114340565) is 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine is CC1(C)CCC(OC(CN)C(C)(C)C)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine?
The InChIKey is RUPXVADRPCPYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)12(10-15)16-11-6-8-14(4,5)9-7-11/h11-12H,6-10,15H2,1-5H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine?
2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114340565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).