(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine

C17H22N2 — CID 156776321

IUPAC(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
SMILESCC(N[C@@H]1CN[C@H](C)C1)c1cccc2ccccc12
InChIInChI=1S/C17H22N2/c1-12-10-15(11-18-12)19-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-9,12-13,15,18-19H,10-11H2,1-2H3/t12-,13?,15+/m1/s1
InChIKeyWNMDBKAGEVRJDB-JHIQODARSA-N
MW254.38 g/mol
LogP3.24
Rot. Bonds3

About (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine

(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine (PubChem CID 156776321) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
PubChem CID156776321
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
SMILESCC(N[C@@H]1CN[C@H](C)C1)c1cccc2ccccc12
InChIInChI=1S/C17H22N2/c1-12-10-15(11-18-12)19-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-9,12-13,15,18-19H,10-11H2,1-2H3/t12-,13?,15+/m1/s1
InChIKeyWNMDBKAGEVRJDB-JHIQODARSA-N
XLogP3.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
(4-methylpiperazin-1-yl)-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclobutyl]methanone
CID 59617429
N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
CID 42624270
1-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-2-yl]propan-2-ol
CID 130451395

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The IUPAC name of (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine (CID 156776321) is (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine is CC(N[C@@H]1CN[C@H](C)C1)c1cccc2ccccc12.
What is the InChIKey of (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The InChIKey is WNMDBKAGEVRJDB-JHIQODARSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-10-15(11-18-12)19-13(2)16-9-5-7-14-6-3-4-8-17(14)16/h3-9,12-13,15,18-19H,10-11H2,1-2H3/t12-,13?,15+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine?
(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine has a molecular weight of 254.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 156776321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).