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

C16H19N3 — CID 141317344

IUPAC(3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCN(C[C@H]1C=C(N)NC1)c1cccc2ccccc12
InChIInChI=1S/C16H19N3/c1-19(11-12-9-16(17)18-10-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,12,18H,10-11,17H2,1H3/t12-/m0/s1
InChIKeyIDXVXCBNXSLHLZ-LBPRGKRZSA-N
MW253.35 g/mol
LogP2.30
Rot. Bonds3

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

(3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141317344) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141317344
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name(3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCN(C[C@H]1C=C(N)NC1)c1cccc2ccccc12
InChIInChI=1S/C16H19N3/c1-19(11-12-9-16(17)18-10-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,12,18H,10-11,17H2,1H3/t12-/m0/s1
InChIKeyIDXVXCBNXSLHLZ-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141317344) is (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine is CN(C[C@H]1C=C(N)NC1)c1cccc2ccccc12.
What is the InChIKey of (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is IDXVXCBNXSLHLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3/c1-19(11-12-9-16(17)18-10-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,12,18H,10-11,17H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-[[methyl(naphthalen-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[[methyl(naphthalen-1-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-1-yl)amino]methyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141317344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).