N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

C16H34N2O — CID 107870140

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCOC1CNC(CN(CCC(C)C)CCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)6-8-18(9-7-14(3)4)12-15-10-16(19-5)11-17-15/h13-17H,6-12H2,1-5H3
InChIKeyMCQLSHGWMNAWQT-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 107870140) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID107870140
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCOC1CNC(CN(CCC(C)C)CCC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-13(2)6-8-18(9-7-14(3)4)12-15-10-16(19-5)11-17-15/h13-17H,6-12H2,1-5H3
InChIKeyMCQLSHGWMNAWQT-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
CID 61215107
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
CID 55002787
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 79864052
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
CID 118498498
(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane
CID 159126174

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (CID 107870140) is N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is COC1CNC(CN(CCC(C)C)CCC(C)C)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is MCQLSHGWMNAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)6-8-18(9-7-14(3)4)12-15-10-16(19-5)11-17-15/h13-17H,6-12H2,1-5H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 107870140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).