2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine

C15H32N2 — CID 55051897

IUPAC2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)CN1CCCC1
InChIInChI=1S/C15H32N2/c1-5-15(6-2,12-16-11-14(3)4)13-17-9-7-8-10-17/h14,16H,5-13H2,1-4H3
InChIKeyVCHYYYBQJVWNNB-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds8

About 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine

2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine (PubChem CID 55051897) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
PubChem CID55051897
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)CN1CCCC1
InChIInChI=1S/C15H32N2/c1-5-15(6-2,12-16-11-14(3)4)13-17-9-7-8-10-17/h14,16H,5-13H2,1-4H3
InChIKeyVCHYYYBQJVWNNB-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
CID 107228972
2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63635481
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
N,2-diethyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 62270235
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
2-ethyl-N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 55051637
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
CID 63494890
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine (CID 55051897) is 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine is CCC(CC)(CNCC(C)C)CN1CCCC1.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
The InChIKey is VCHYYYBQJVWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-15(6-2,12-16-11-14(3)4)13-17-9-7-8-10-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine?
2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine is sourced from PubChem (CID 55051897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).