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

C26H24N2O — CID 15488716

IUPAC[(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1N=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O/c29-18-21-12-7-17-28(21)27-26(24-15-5-10-19-8-1-3-13-22(19)24)25-16-6-11-20-9-2-4-14-23(20)25/h1-6,8-11,13-16,21,29H,7,12,17-18H2/t21-/m0/s1
InChIKeyHDAIQTNXPWXXBR-NRFANRHFSA-N
MW380.49 g/mol
LogP5.20
Rot. Bonds4

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

[(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol (PubChem CID 15488716) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol
PubChem CID15488716
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name[(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1N=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H24N2O/c29-18-21-12-7-17-28(21)27-26(24-15-5-10-19-8-1-3-13-22(19)24)25-16-6-11-20-9-2-4-14-23(20)25/h1-6,8-11,13-16,21,29H,7,12,17-18H2/t21-/m0/s1
InChIKeyHDAIQTNXPWXXBR-NRFANRHFSA-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-2-ylmethylideneamino)pyrrolidin-2-yl]methanol
CID 134877539
(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
[1-(Benzhydrylideneamino)-1-methylpyrrolidin-1-ium-2-yl]methanol
CID 5051377
[(2S)-1-(benzhydrylideneamino)-1-methylpyrrolidin-1-ium-2-yl]methanol
CID 11112637
[(1S,2S)-1-(benzhydrylideneamino)-1-methylpyrrolidin-1-ium-2-yl]methanol
CID 102439090
[(1R,2S)-1-(benzhydrylideneamino)-1-methylpyrrolidin-1-ium-2-yl]methanol
CID 125117378
[(2R)-1-(benzhydrylideneamino)-1-methylpyrrolidin-1-ium-2-yl]methanol
CID 131704881
(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-1-ylmethylideneamino)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol (CID 15488716) is [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1N=C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol?
The InChIKey is HDAIQTNXPWXXBR-NRFANRHFSA-N. The full InChI is InChI=1S/C26H24N2O/c29-18-21-12-7-17-28(21)27-26(24-15-5-10-19-8-1-3-13-22(19)24)25-16-6-11-20-9-2-4-14-23(20)25/h1-6,8-11,13-16,21,29H,7,12,17-18H2/t21-/m0/s1.
What are the key properties of [(2S)-1-(dinaphthalen-1-ylmethylideneamino)pyrrolidin-2-yl]methanol?
[(2S)-1-(dinaphthalen-1-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-1-ylmethylideneamino)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 15488716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).