[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine

C16H26N2 — CID 83825251

IUPAC[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)CC1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-14(2)10-16(12-17)8-9-18(13-16)11-15-6-4-3-5-7-15/h3-7,14H,8-13,17H2,1-2H3
InChIKeyXFTBJAGHFMOGLC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.88
Rot. Bonds5

About [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine

[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine (PubChem CID 83825251) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
PubChem CID83825251
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
SMILESCC(C)CC1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-14(2)10-16(12-17)8-9-18(13-16)11-15-6-4-3-5-7-15/h3-7,14H,8-13,17H2,1-2H3
InChIKeyXFTBJAGHFMOGLC-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine
CID 88891908
1-[1-benzyl-3-(2-methylpropyl)piperidin-3-yl]-4-methylpiperazine
CID 59639474
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine (CID 83825251) is [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine is CC(C)CC1(CN)CCN(Cc2ccccc2)C1.
What is the InChIKey of [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is XFTBJAGHFMOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)10-16(12-17)8-9-18(13-16)11-15-6-4-3-5-7-15/h3-7,14H,8-13,17H2,1-2H3.
What are the key properties of [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine?
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83825251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).