2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine

C15H30N2O — CID 170602039

IUPAC2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine
SMILESCOCCN(C)CC1CCC2(C(C)C)CCCN12
InChIInChI=1S/C15H30N2O/c1-13(2)15-7-5-9-17(15)14(6-8-15)12-16(3)10-11-18-4/h13-14H,5-12H2,1-4H3
InChIKeyVQSPFTMKFPINPN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds6

About 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine

2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine (PubChem CID 170602039) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine
PubChem CID170602039
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine
SMILESCOCCN(C)CC1CCC2(C(C)C)CCCN12
InChIInChI=1S/C15H30N2O/c1-13(2)15-7-5-9-17(15)14(6-8-15)12-16(3)10-11-18-4/h13-14H,5-12H2,1-4H3
InChIKeyVQSPFTMKFPINPN-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium N-(1,2,3,5,6,7-hexahydropyrrolizin-8-id-3-ylmethyl)-2-methoxy-N-methylethanamine
CID 176921101
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
2-methoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 62371781
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(2S)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 100898340
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775761
(3-bromofuran-2-yl)-[(2R)-2-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 96570139
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
2-[[2-methoxyethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62610889
(3R,8S)-3-(methoxymethyl)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922728
2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methylcyclopentan-1-amine
CID 82767325

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine (CID 170602039) is 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine is COCCN(C)CC1CCC2(C(C)C)CCCN12.
What is the InChIKey of 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine?
The InChIKey is VQSPFTMKFPINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)15-7-5-9-17(15)14(6-8-15)12-16(3)10-11-18-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine?
2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine is sourced from PubChem (CID 170602039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).