N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine

C17H29N3O — CID 79934395

IUPACN-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(CN2CCN3CCCC3C2)oc1CNC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)18-10-17-14(3)9-16(21-17)12-19-7-8-20-6-4-5-15(20)11-19/h9,13,15,18H,4-8,10-12H2,1-3H3
InChIKeySHDSCKHSSMCFNY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.37
Rot. Bonds5

About N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 79934395) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID79934395
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(CN2CCN3CCCC3C2)oc1CNC(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)18-10-17-14(3)9-16(21-17)12-19-7-8-20-6-4-5-15(20)11-19/h9,13,15,18H,4-8,10-12H2,1-3H3
InChIKeySHDSCKHSSMCFNY-UHFFFAOYSA-N
XLogP2.37
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63621667
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-5-methylfuran-2-yl]-N-methylmethanamine
CID 79946048
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556740
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 114413435
[3-methyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]furan-2-yl]methanamine
CID 79170378
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
(8aR)-2-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99937780
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine (CID 79934395) is N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine is Cc1cc(CN2CCN3CCCC3C2)oc1CNC(C)C.
What is the InChIKey of N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is SHDSCKHSSMCFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)18-10-17-14(3)9-16(21-17)12-19-7-8-20-6-4-5-15(20)11-19/h9,13,15,18H,4-8,10-12H2,1-3H3.
What are the key properties of N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 79934395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).