1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine

C16H25N3 — CID 103575535

IUPAC1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(C2CCN(Cc3ccccc3)C2)CC1N
InChIInChI=1S/C16H25N3/c1-13-9-19(12-16(13)17)15-7-8-18(11-15)10-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,17H2,1H3
InChIKeyRTKRHGWGPZIOJO-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.54
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine

1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine (PubChem CID 103575535) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
PubChem CID103575535
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
SMILESCC1CN(C2CCN(Cc3ccccc3)C2)CC1N
InChIInChI=1S/C16H25N3/c1-13-9-19(12-16(13)17)15-7-8-18(11-15)10-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,17H2,1H3
InChIKeyRTKRHGWGPZIOJO-UHFFFAOYSA-N
XLogP1.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
CID 79986204
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
1-(1-benzylpyrrolidin-3-yl)-N,4-dimethylpiperidin-4-amine
CID 115303946
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine (CID 103575535) is 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine is CC1CN(C2CCN(Cc3ccccc3)C2)CC1N.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine?
The InChIKey is RTKRHGWGPZIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-9-19(12-16(13)17)15-7-8-18(11-15)10-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,17H2,1H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine?
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).