[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol

C26H24N2O — CID 134877539

IUPAC[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1N=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H24N2O/c29-18-25-10-5-15-28(25)27-26(23-13-11-19-6-1-3-8-21(19)16-23)24-14-12-20-7-2-4-9-22(20)17-24/h1-4,6-9,11-14,16-17,25,29H,5,10,15,18H2/t25-/m0/s1
InChIKeyMKWLYGUBNAWVAG-VWLOTQADSA-N
MW380.49 g/mol
LogP5.20
Rot. Bonds4

About [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol

[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol (PubChem CID 134877539) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol
PubChem CID134877539
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1N=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H24N2O/c29-18-25-10-5-15-28(25)27-26(23-13-11-19-6-1-3-8-21(19)16-23)24-14-12-20-7-2-4-9-22(20)17-24/h1-4,6-9,11-14,16-17,25,29H,5,10,15,18H2/t25-/m0/s1
InChIKeyMKWLYGUBNAWVAG-VWLOTQADSA-N
XLogP5.20
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol
CID 15488716
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 122519285
N-[2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 123264139
chrysene;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 174932756
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine
CID 11187600
(E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine
CID 11739971
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanimine
CID 21601352
(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol
CID 177421176
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-naphthalen-2-ylmethanimine
CID 177618332

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol (CID 134877539) is [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1N=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol?
The InChIKey is MKWLYGUBNAWVAG-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24N2O/c29-18-25-10-5-15-28(25)27-26(23-13-11-19-6-1-3-8-21(19)16-23)24-14-12-20-7-2-4-9-22(20)17-24/h1-4,6-9,11-14,16-17,25,29H,5,10,15,18H2/t25-/m0/s1.
What are the key properties of [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol?
[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol has a molecular weight of 380.49 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 134877539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).