N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine

C13H27NO — CID 134415201

IUPACN-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine
SMILESCCOC1CCC(N(C)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-6-15-12-9-7-11(8-10-12)14(5)13(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyKRZMUVTXRLWCIC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds3

About N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine

N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine (PubChem CID 134415201) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine
PubChem CID134415201
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine
SMILESCCOC1CCC(N(C)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-6-15-12-9-7-11(8-10-12)14(5)13(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyKRZMUVTXRLWCIC-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine (CID 134415201) is N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine is CCOC1CCC(N(C)C(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine?
The InChIKey is KRZMUVTXRLWCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-15-12-9-7-11(8-10-12)14(5)13(2,3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine?
N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 134415201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).