1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

C11H24N2O — CID 106638615

IUPAC1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCOCC(NCC1CCCN1)C(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)11(8-14-3)13-7-10-5-4-6-12-10/h9-13H,4-8H2,1-3H3
InChIKeySCHBMWAQCNVDSL-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.00
Rot. Bonds6

About 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (PubChem CID 106638615) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
PubChem CID106638615
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCOCC(NCC1CCCN1)C(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)11(8-14-3)13-7-10-5-4-6-12-10/h9-13H,4-8H2,1-3H3
InChIKeySCHBMWAQCNVDSL-UHFFFAOYSA-N
XLogP1.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106638144
4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
CID 106156720
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
3-methoxy-2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79540301
methyl (2S)-3-methyl-2-(piperidin-2-ylmethylamino)butanoate
CID 106633362
N-(2-methoxyethyl)-2-(piperidin-2-ylmethylamino)propanamide
CID 106634334
N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 106638277
methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate
CID 14048585
1-methoxy-3-methyl-N-[(3-methylcyclopentyl)methyl]butan-2-amine
CID 107411988
N-(1-methoxy-3-methylbutan-2-yl)-3-methylpiperidine-2-carboxamide
CID 65049268
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (CID 106638615) is 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is COCC(NCC1CCCN1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The InChIKey is SCHBMWAQCNVDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)11(8-14-3)13-7-10-5-4-6-12-10/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 106638615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).