(1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine

C26H29N2P — CID 166826151

IUPAC(1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine
SMILESCCc1ccc2c([C@H](C)NPN[C@@H](C)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C26H29N2P/c1-4-20-15-16-26-22(17-20)11-8-14-24(26)19(3)28-29-27-18(2)23-13-7-10-21-9-5-6-12-25(21)23/h5-19,27-29H,4H2,1-3H3/t18-,19-/m0/s1
InChIKeyIJNTWEBWVIBNFP-OALUTQOASA-N
MW400.51 g/mol
LogP7.07
Rot. Bonds7

About (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine

(1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine (PubChem CID 166826151) has the molecular formula C26H29N2P and a molecular weight of 400.51 g/mol. Its IUPAC name is (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine.

Molecular Properties

Compound Name(1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine
PubChem CID166826151
Molecular FormulaC26H29N2P
Molecular Weight400.51 g/mol
Exact Mass400.21
IUPAC Name(1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine
SMILESCCc1ccc2c([C@H](C)NPN[C@@H](C)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C26H29N2P/c1-4-20-15-16-26-22(17-20)11-8-14-24(26)19(3)28-29-27-18(2)23-13-7-10-21-9-5-6-12-25(21)23/h5-19,27-29H,4H2,1-3H3/t18-,19-/m0/s1
InChIKeyIJNTWEBWVIBNFP-OALUTQOASA-N
XLogP7.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-propan-2-ylnaphthalene
CID 123206196
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
N-ethyl-3-naphthalen-1-ylbutan-1-amine
CID 81020058
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
CID 67447245
N-[(1-ethylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087504
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine?
The IUPAC name of (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine (CID 166826151) is (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine.
What is the SMILES notation for (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine?
The canonical SMILES for (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine is CCc1ccc2c([C@H](C)NPN[C@@H](C)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine?
The InChIKey is IJNTWEBWVIBNFP-OALUTQOASA-N. The full InChI is InChI=1S/C26H29N2P/c1-4-20-15-16-26-22(17-20)11-8-14-24(26)19(3)28-29-27-18(2)23-13-7-10-21-9-5-6-12-25(21)23/h5-19,27-29H,4H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine?
(1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine has a molecular weight of 400.51 g/mol, XLogP of 7.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-ethylnaphthalen-1-yl)-N-[[(1S)-1-naphthalen-1-ylethyl]amino]phosphanylethanamine is sourced from PubChem (CID 166826151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).