N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine

C19H33NO — CID 81023230

IUPACN-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C(C)(C)C)CC1c1ccoc1
InChIInChI=1S/C19H33NO/c1-14(2)11-20-12-15-6-7-17(19(3,4)5)10-18(15)16-8-9-21-13-16/h8-9,13-15,17-18,20H,6-7,10-12H2,1-5H3
InChIKeySLICIEZBLNIYQJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.07
Rot. Bonds5

About N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81023230) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81023230
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C(C)(C)C)CC1c1ccoc1
InChIInChI=1S/C19H33NO/c1-14(2)11-20-12-15-6-7-17(19(3,4)5)10-18(15)16-8-9-21-13-16/h8-9,13-15,17-18,20H,6-7,10-12H2,1-5H3
InChIKeySLICIEZBLNIYQJ-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81023230) is N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C(C)(C)C)CC1c1ccoc1.
What is the InChIKey of N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is SLICIEZBLNIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)11-20-12-15-6-7-17(19(3,4)5)10-18(15)16-8-9-21-13-16/h8-9,13-15,17-18,20H,6-7,10-12H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81023230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).