4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine

C15H29NO — CID 26458392

IUPAC4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC[C@H]2CCCO2)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)12-6-8-13(9-7-12)16-11-14-5-4-10-17-14/h12-14,16H,4-11H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyQSFNMOWUAVJEOD-JXQTWKCFSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine

4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine (PubChem CID 26458392) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
PubChem CID26458392
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NC[C@H]2CCCO2)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)12-6-8-13(9-7-12)16-11-14-5-4-10-17-14/h12-14,16H,4-11H2,1-3H3/t12?,13?,14-/m1/s1
InChIKeyQSFNMOWUAVJEOD-JXQTWKCFSA-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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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753822
N-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 82833913
4-tert-butyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 14652957
N-(oxolan-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 14675476
N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine
CID 19864357
(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine
CID 20648546
N-(2-methoxyethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 28425757
4-tert-butyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 40422739
4-tert-butyl-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 43177882
(2R)-2-[cyclohexyl(methoxy)methyl]pyrrolidine
CID 70228439

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine (CID 26458392) is 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine is CC(C)(C)C1CCC(NC[C@H]2CCCO2)CC1.
What is the InChIKey of 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is QSFNMOWUAVJEOD-JXQTWKCFSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)12-6-8-13(9-7-12)16-11-14-5-4-10-17-14/h12-14,16H,4-11H2,1-3H3/t12?,13?,14-/m1/s1.
What are the key properties of 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine?
4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]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 4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 26458392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).