(3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine

C17H27N3 — CID 102595788

IUPAC(3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
SMILESCN1CC[C@H](N[C@@H](CN2CCCC2)c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-19-12-9-16(13-19)18-17(14-20-10-5-6-11-20)15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3/t16-,17-/m0/s1
InChIKeyBVIWLBLUCHNVHG-IRXDYDNUSA-N
MW273.42 g/mol
LogP2.12
Rot. Bonds5

About (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine

(3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine (PubChem CID 102595788) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
PubChem CID102595788
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
SMILESCN1CC[C@H](N[C@@H](CN2CCCC2)c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-19-12-9-16(13-19)18-17(14-20-10-5-6-11-20)15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3/t16-,17-/m0/s1
InChIKeyBVIWLBLUCHNVHG-IRXDYDNUSA-N
XLogP2.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diphenylethyl)-1-methylpyrrolidin-3-amine
CID 61462426
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine (CID 102595788) is (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine is CN1CC[C@H](N[C@@H](CN2CCCC2)c2ccccc2)C1.
What is the InChIKey of (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
The InChIKey is BVIWLBLUCHNVHG-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-12-9-16(13-19)18-17(14-20-10-5-6-11-20)15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
(3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 102595788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).