N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C18H32N2O — CID 62708305

IUPACN-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN(C)Cc1ccco1
InChIInChI=1S/C18H32N2O/c1-5-19-18-9-8-15(14(2)3)11-16(18)12-20(4)13-17-7-6-10-21-17/h6-7,10,14-16,18-19H,5,8-9,11-13H2,1-4H3
InChIKeyURWFVUFIGSZZEU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.76
Rot. Bonds7

About N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62708305) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62708305
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1CN(C)Cc1ccco1
InChIInChI=1S/C18H32N2O/c1-5-19-18-9-8-15(14(2)3)11-16(18)12-20(4)13-17-7-6-10-21-17/h6-7,10,14-16,18-19H,5,8-9,11-13H2,1-4H3
InChIKeyURWFVUFIGSZZEU-UHFFFAOYSA-N
XLogP3.76
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62708305) is N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1CN(C)Cc1ccco1.
What is the InChIKey of N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is URWFVUFIGSZZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-19-18-9-8-15(14(2)3)11-16(18)12-20(4)13-17-7-6-10-21-17/h6-7,10,14-16,18-19H,5,8-9,11-13H2,1-4H3.
What are the key properties of N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62708305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).