N-tert-butyl-4-methoxycyclohexan-1-amine

C11H23NO — CID 45091383

IUPACN-tert-butyl-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C11H23NO/c1-11(2,3)12-9-5-7-10(13-4)8-6-9/h9-10,12H,5-8H2,1-4H3
InChIKeyFPVAQUAQYPGOCR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds2

About N-tert-butyl-4-methoxycyclohexan-1-amine

N-tert-butyl-4-methoxycyclohexan-1-amine (PubChem CID 45091383) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-tert-butyl-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methoxycyclohexan-1-amine
PubChem CID45091383
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-tert-butyl-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C11H23NO/c1-11(2,3)12-9-5-7-10(13-4)8-6-9/h9-10,12H,5-8H2,1-4H3
InChIKeyFPVAQUAQYPGOCR-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methoxycyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-methoxycyclohexan-1-amine (CID 45091383) is N-tert-butyl-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-methoxycyclohexan-1-amine is COC1CCC(NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-methoxycyclohexan-1-amine?
The InChIKey is FPVAQUAQYPGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)12-9-5-7-10(13-4)8-6-9/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-4-methoxycyclohexan-1-amine?
N-tert-butyl-4-methoxycyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 45091383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).