N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine

C17H30N2O — CID 62411943

IUPACN-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H30N2O/c1-5-18-11-14-10-16(20-13-14)12-19-8-6-15(7-9-19)17(2,3)4/h10,13,15,18H,5-9,11-12H2,1-4H3
InChIKeySVBOVNPFIVTYHK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.65
Rot. Bonds5

About N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine

N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62411943) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62411943
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1coc(CN2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H30N2O/c1-5-18-11-14-10-16(20-13-14)12-19-8-6-15(7-9-19)17(2,3)4/h10,13,15,18H,5-9,11-12H2,1-4H3
InChIKeySVBOVNPFIVTYHK-UHFFFAOYSA-N
XLogP3.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62463352
1-[5-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62412564
N-[[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)furan-3-yl]methyl]ethanamine
CID 63153088
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-methyl-1-[5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428197
N-[[3-bromo-4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102771876
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62932027
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]furan-3-yl]methyl]ethanamine
CID 55074754

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine (CID 62411943) is N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine is CCNCc1coc(CN2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is SVBOVNPFIVTYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-18-11-14-10-16(20-13-14)12-19-8-6-15(7-9-19)17(2,3)4/h10,13,15,18H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine?
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 278.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62411943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).