N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine

C17H27N3O — CID 79915678

IUPACN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)c(CN2CCN3CCCCC3C2)o1
InChIInChI=1S/C17H27N3O/c1-2-7-20-9-8-19(12-16(20)3-1)13-17-14(6-10-21-17)11-18-15-4-5-15/h6,10,15-16,18H,1-5,7-9,11-13H2
InChIKeyKFCXOXUMGMWTSE-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.20
Rot. Bonds5

About N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine (PubChem CID 79915678) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine
PubChem CID79915678
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)c(CN2CCN3CCCCC3C2)o1
InChIInChI=1S/C17H27N3O/c1-2-7-20-9-8-19(12-16(20)3-1)13-17-14(6-10-21-17)11-18-15-4-5-15/h6,10,15-16,18H,1-5,7-9,11-13H2
InChIKeyKFCXOXUMGMWTSE-UHFFFAOYSA-N
XLogP2.20
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
CID 79945485
N-[[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 63619960
N-[[2-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62417291
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 79915668
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102745973
N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 114540016
N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556778
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
N-[[3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62411236
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine (CID 79915678) is N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine is c1cc(CNC2CC2)c(CN2CCN3CCCCC3C2)o1.
What is the InChIKey of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine?
The InChIKey is KFCXOXUMGMWTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-7-20-9-8-19(12-16(20)3-1)13-17-14(6-10-21-17)11-18-15-4-5-15/h6,10,15-16,18H,1-5,7-9,11-13H2.
What are the key properties of N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine?
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79915678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).