N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

C16H26N2O — CID 62412903

IUPACN-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC1CCN(Cc2ccc(CNC3CC3)o2)CC1
InChIInChI=1S/C16H26N2O/c1-2-13-7-9-18(10-8-13)12-16-6-5-15(19-16)11-17-14-3-4-14/h5-6,13-14,17H,2-4,7-12H2,1H3
InChIKeyHNTHQJBJSWTDHA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds6

About N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62412903) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62412903
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC1CCN(Cc2ccc(CNC3CC3)o2)CC1
InChIInChI=1S/C16H26N2O/c1-2-13-7-9-18(10-8-13)12-16-6-5-15(19-16)11-17-14-3-4-14/h5-6,13-14,17H,2-4,7-12H2,1H3
InChIKeyHNTHQJBJSWTDHA-UHFFFAOYSA-N
XLogP3.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63160019
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074092
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 75380785
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
3-ethyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64500285
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62412903) is N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CCC1CCN(Cc2ccc(CNC3CC3)o2)CC1.
What is the InChIKey of N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HNTHQJBJSWTDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-13-7-9-18(10-8-13)12-16-6-5-15(19-16)11-17-14-3-4-14/h5-6,13-14,17H,2-4,7-12H2,1H3.
What are the key properties of N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62412903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).