N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine

C12H26N2O — CID 106603489

IUPACN-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCCN(CC1CCCN1)C(C)C(C)OC
InChIInChI=1S/C12H26N2O/c1-5-14(10(2)11(3)15-4)9-12-7-6-8-13-12/h10-13H,5-9H2,1-4H3
InChIKeyIKBIVNVFPQIRFH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds6

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

N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine (PubChem CID 106603489) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
PubChem CID106603489
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
SMILESCCN(CC1CCCN1)C(C)C(C)OC
InChIInChI=1S/C12H26N2O/c1-5-14(10(2)11(3)15-4)9-12-7-6-8-13-12/h10-13H,5-9H2,1-4H3
InChIKeyIKBIVNVFPQIRFH-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine
CID 106622534
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623
N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
CID 106632589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine (CID 106603489) is N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine is CCN(CC1CCCN1)C(C)C(C)OC.
What is the InChIKey of N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
The InChIKey is IKBIVNVFPQIRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-14(10(2)11(3)15-4)9-12-7-6-8-13-12/h10-13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine?
N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 106603489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).