[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine

C15H29NO — CID 104575993

IUPAC[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
SMILESCC(C)(C)C1CCC(C2OCCC2CN)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)13-6-4-11(5-7-13)14-12(10-16)8-9-17-14/h11-14H,4-10,16H2,1-3H3
InChIKeyVFECQYGGXVQSMV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.20
Rot. Bonds2

About [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine

[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine (PubChem CID 104575993) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
PubChem CID104575993
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
SMILESCC(C)(C)C1CCC(C2OCCC2CN)CC1
InChIInChI=1S/C15H29NO/c1-15(2,3)13-6-4-11(5-7-13)14-12(10-16)8-9-17-14/h11-14H,4-10,16H2,1-3H3
InChIKeyVFECQYGGXVQSMV-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
CID 172551855
2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile
CID 113428588
2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
CID 104575992
[2-(oxolan-2-yl)oxolan-3-yl]methanamine
CID 82837467
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
2-(4-tert-butylcyclohexyl)oxirane
CID 104575962
[4-tert-butyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81011372
N-[(2-cyclopentyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79367525
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
CID 81012372
(4-tert-butylcycloheptyl)methanamine
CID 65089670
[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine (CID 104575993) is [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine is CC(C)(C)C1CCC(C2OCCC2CN)CC1.
What is the InChIKey of [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine?
The InChIKey is VFECQYGGXVQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,3)13-6-4-11(5-7-13)14-12(10-16)8-9-17-14/h11-14H,4-10,16H2,1-3H3.
What are the key properties of [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine?
[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 104575993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).