2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C15H29NO — CID 43179165

IUPAC2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCC1CCCO1
InChIInChI=1S/C15H29NO/c1-15(2,3)13-8-4-5-9-14(13)16-11-12-7-6-10-17-12/h12-14,16H,4-11H2,1-3H3
InChIKeyFWHZAQFIPAQFBN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 43179165) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID43179165
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCC1CCCO1
InChIInChI=1S/C15H29NO/c1-15(2,3)13-8-4-5-9-14(13)16-11-12-7-6-10-17-12/h12-14,16H,4-11H2,1-3H3
InChIKeyFWHZAQFIPAQFBN-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 43179165) is 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCC1CCCO1.
What is the InChIKey of 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is FWHZAQFIPAQFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)13-8-4-5-9-14(13)16-11-12-7-6-10-17-12/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 43179165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).