N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine

C18H31NO — CID 81030599

IUPACN-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)C(c2ccoc2)C1
InChIInChI=1S/C18H31NO/c1-13(2)14-6-7-15(11-19-18(3,4)5)17(10-14)16-8-9-20-12-16/h8-9,12-15,17,19H,6-7,10-11H2,1-5H3
InChIKeyXKNKENKSQWJYGE-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.82
Rot. Bonds4

About N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81030599) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81030599
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)C1CCC(CNC(C)(C)C)C(c2ccoc2)C1
InChIInChI=1S/C18H31NO/c1-13(2)14-6-7-15(11-19-18(3,4)5)17(10-14)16-8-9-20-12-16/h8-9,12-15,17,19H,6-7,10-11H2,1-5H3
InChIKeyXKNKENKSQWJYGE-UHFFFAOYSA-N
XLogP4.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81030599) is N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is CC(C)C1CCC(CNC(C)(C)C)C(c2ccoc2)C1.
What is the InChIKey of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XKNKENKSQWJYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)14-6-7-15(11-19-18(3,4)5)17(10-14)16-8-9-20-12-16/h8-9,12-15,17,19H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).