(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine

C16H19N3 — CID 141317316

IUPAC(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCN(C[C@H]1C=C(N)NC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H19N3/c1-19(11-12-8-16(17)18-10-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-9,12,18H,10-11,17H2,1H3/t12-/m0/s1
InChIKeyRRWUUGWRMCOSDS-LBPRGKRZSA-N
MW253.35 g/mol
LogP2.30
Rot. Bonds3

About (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141317316) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141317316
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCN(C[C@H]1C=C(N)NC1)c1ccc2ccccc2c1
InChIInChI=1S/C16H19N3/c1-19(11-12-8-16(17)18-10-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-9,12,18H,10-11,17H2,1H3/t12-/m0/s1
InChIKeyRRWUUGWRMCOSDS-LBPRGKRZSA-N
XLogP2.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
(3S)-3-[(N-ethyl-3-phenoxyanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317247
(3R)-3-[(3,4-dichloro-N-propan-2-ylanilino)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317255
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
(3S)-3-[[N-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxyanilino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141317252
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
CID 8593214
2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol
CID 115135292
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 25337456

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141317316) is (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine is CN(C[C@H]1C=C(N)NC1)c1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is RRWUUGWRMCOSDS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3/c1-19(11-12-8-16(17)18-10-12)15-7-6-13-4-2-3-5-14(13)9-15/h2-9,12,18H,10-11,17H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 253.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[methyl(naphthalen-2-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141317316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).