(2-tert-butyl-1-ethoxycyclohexyl)methanamine

C13H27NO — CID 66072157

IUPAC(2-tert-butyl-1-ethoxycyclohexyl)methanamine
SMILESCCOC1(CN)CCCCC1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-5-15-13(10-14)9-7-6-8-11(13)12(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyJWBZVZWTSAZCRH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds3

About (2-tert-butyl-1-ethoxycyclohexyl)methanamine

(2-tert-butyl-1-ethoxycyclohexyl)methanamine (PubChem CID 66072157) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2-tert-butyl-1-ethoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1-ethoxycyclohexyl)methanamine
PubChem CID66072157
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2-tert-butyl-1-ethoxycyclohexyl)methanamine
SMILESCCOC1(CN)CCCCC1C(C)(C)C
InChIInChI=1S/C13H27NO/c1-5-15-13(10-14)9-7-6-8-11(13)12(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyJWBZVZWTSAZCRH-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1-ethoxycyclohexyl)methanamine?
The IUPAC name of (2-tert-butyl-1-ethoxycyclohexyl)methanamine (CID 66072157) is (2-tert-butyl-1-ethoxycyclohexyl)methanamine.
What is the SMILES notation for (2-tert-butyl-1-ethoxycyclohexyl)methanamine?
The canonical SMILES for (2-tert-butyl-1-ethoxycyclohexyl)methanamine is CCOC1(CN)CCCCC1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-1-ethoxycyclohexyl)methanamine?
The InChIKey is JWBZVZWTSAZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-15-13(10-14)9-7-6-8-11(13)12(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of (2-tert-butyl-1-ethoxycyclohexyl)methanamine?
(2-tert-butyl-1-ethoxycyclohexyl)methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1-ethoxycyclohexyl)methanamine is sourced from PubChem (CID 66072157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).