(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine

C30H36N2 — CID 15472052

IUPAC(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine
SMILESCC(C)(C)N[C@H](c1ccc2ccccc2c1)[C@@H](NC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C30H36N2/c1-29(2,3)31-27(25-17-15-21-11-7-9-13-23(21)19-25)28(32-30(4,5)6)26-18-16-22-12-8-10-14-24(22)20-26/h7-20,27-28,31-32H,1-6H3/t27-,28+
InChIKeyMCQADZHLJYQARZ-HNRBIFIRSA-N
MW424.63 g/mol
LogP7.55
Rot. Bonds5

About (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine

(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine (PubChem CID 15472052) has the molecular formula C30H36N2 and a molecular weight of 424.63 g/mol. Its IUPAC name is (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine
PubChem CID15472052
Molecular FormulaC30H36N2
Molecular Weight424.63 g/mol
Exact Mass424.29
IUPAC Name(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine
SMILESCC(C)(C)N[C@H](c1ccc2ccccc2c1)[C@@H](NC(C)(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C30H36N2/c1-29(2,3)31-27(25-17-15-21-11-7-9-13-23(21)19-25)28(32-30(4,5)6)26-18-16-22-12-8-10-14-24(22)20-26/h7-20,27-28,31-32H,1-6H3/t27-,28+
InChIKeyMCQADZHLJYQARZ-HNRBIFIRSA-N
XLogP7.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-naphthalen-2-ylethyl)formamide
CID 18543124
ethane;2-propan-2-ylnaphthalene
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2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
2-propan-2-ylpentacene
CID 153380535
(2,2-dimethoxy-1-naphthalen-2-ylethyl)hydrazine
CID 105245972
N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
CID 115851123
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine?
The IUPAC name of (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine (CID 15472052) is (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine.
What is the SMILES notation for (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine?
The canonical SMILES for (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine is CC(C)(C)N[C@H](c1ccc2ccccc2c1)[C@@H](NC(C)(C)C)c1ccc2ccccc2c1.
What is the InChIKey of (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine?
The InChIKey is MCQADZHLJYQARZ-HNRBIFIRSA-N. The full InChI is InChI=1S/C30H36N2/c1-29(2,3)31-27(25-17-15-21-11-7-9-13-23(21)19-25)28(32-30(4,5)6)26-18-16-22-12-8-10-14-24(22)20-26/h7-20,27-28,31-32H,1-6H3/t27-,28+.
What are the key properties of (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine?
(1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine has a molecular weight of 424.63 g/mol, XLogP of 7.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,N'-ditert-butyl-1,2-dinaphthalen-2-ylethane-1,2-diamine is sourced from PubChem (CID 15472052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).