2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

C16H34N2O — CID 103539012

IUPAC2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CCC(OC)C1
InChIInChI=1S/C16H34N2O/c1-6-8-16(4,12-17-10-14(2)3)13-18-9-7-15(11-18)19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyOOEXZMAFNRCTAS-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 103539012) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID103539012
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CCC(OC)C1
InChIInChI=1S/C16H34N2O/c1-6-8-16(4,12-17-10-14(2)3)13-18-9-7-15(11-18)19-5/h14-15,17H,6-13H2,1-5H3
InChIKeyOOEXZMAFNRCTAS-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

2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 62264057
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
CID 62262511
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
2-[(3-ethoxypiperidin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62271911
2-methyl-N-(2-methylpropyl)-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-1-amine
CID 114596717
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 103539012) is 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)CN1CCC(OC)C1.
What is the InChIKey of 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is OOEXZMAFNRCTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-16(4,12-17-10-14(2)3)13-18-9-7-15(11-18)19-5/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-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 2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 103539012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).