4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

C11H24N2O — CID 106602392

IUPAC4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCOCCC(C)N(C)CC1CCCN1
InChIInChI=1S/C11H24N2O/c1-10(6-8-14-3)13(2)9-11-5-4-7-12-11/h10-12H,4-9H2,1-3H3
InChIKeyVQYXWZCPOQLKAP-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds6

About 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine

4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (PubChem CID 106602392) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
PubChem CID106602392
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCOCCC(C)N(C)CC1CCCN1
InChIInChI=1S/C11H24N2O/c1-10(6-8-14-3)13(2)9-11-5-4-7-12-11/h10-12H,4-9H2,1-3H3
InChIKeyVQYXWZCPOQLKAP-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine
CID 116500370
N-methyl-1-methylsulfanyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine
CID 102819660
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
4-(4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602440
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581
3-methoxy-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602744
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N-(2-methoxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106606339
3-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819506
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine (CID 106602392) is 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is COCCC(C)N(C)CC1CCCN1.
What is the InChIKey of 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The InChIKey is VQYXWZCPOQLKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(6-8-14-3)13(2)9-11-5-4-7-12-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 106602392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).