N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C16H26N2O — CID 79715370

IUPACN-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCCc1ccc(CN(CC2CCNCC2)C2CC2)o1
InChIInChI=1S/C16H26N2O/c1-2-15-5-6-16(19-15)12-18(14-3-4-14)11-13-7-9-17-10-8-13/h5-6,13-14,17H,2-4,7-12H2,1H3
InChIKeyCZLULEDSMFOSSJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79715370) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79715370
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCCc1ccc(CN(CC2CCNCC2)C2CC2)o1
InChIInChI=1S/C16H26N2O/c1-2-15-5-6-16(19-15)12-18(14-3-4-14)11-13-7-9-17-10-8-13/h5-6,13-14,17H,2-4,7-12H2,1H3
InChIKeyCZLULEDSMFOSSJ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 64520094
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
CID 112641605
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 80702786
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79715370) is N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is CCc1ccc(CN(CC2CCNCC2)C2CC2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is CZLULEDSMFOSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-15-5-6-16(19-15)12-18(14-3-4-14)11-13-7-9-17-10-8-13/h5-6,13-14,17H,2-4,7-12H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79715370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).