4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine

C15H25NO — CID 65020416

IUPAC4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(Cc2ccco2)CC1
InChIInChI=1S/C15H25NO/c1-14(2,3)12-6-8-15(16,9-7-12)11-13-5-4-10-17-13/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyMBOZNRSZHDGSRF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds2

About 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine

4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65020416) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65020416
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(Cc2ccco2)CC1
InChIInChI=1S/C15H25NO/c1-14(2,3)12-6-8-15(16,9-7-12)11-13-5-4-10-17-13/h4-5,10,12H,6-9,11,16H2,1-3H3
InChIKeyMBOZNRSZHDGSRF-UHFFFAOYSA-N
XLogP3.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 83171605
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
3-(furan-2-ylmethyl)-1,1-dioxothiolan-3-amine
CID 115338002
4-tert-butyl-1-[furan-2-yl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79136477
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine (CID 65020416) is 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine is CC(C)(C)C1CCC(N)(Cc2ccco2)CC1.
What is the InChIKey of 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is MBOZNRSZHDGSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)12-6-8-15(16,9-7-12)11-13-5-4-10-17-13/h4-5,10,12H,6-9,11,16H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65020416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).