lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide

C24H24LiN3 — CID 177413049

IUPAClithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
SMILESC[C@H](N[N-]N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12.[Li+]
InChIInChI=1S/C24H24N3.Li/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)25-27-26-18(2)22-16-8-12-20-10-4-6-14-24(20)22;/h3-18,25-26H,1-2H3;/q-1;+1/t17-,18-;/m0./s1
InChIKeyDJBWLPSYQQIELJ-APTPAJQOSA-N
MW361.42 g/mol
LogP3.20
Rot. Bonds6

About lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide

lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide (PubChem CID 177413049) has the molecular formula C24H24LiN3 and a molecular weight of 361.42 g/mol. Its IUPAC name is lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide.

Molecular Properties

Compound Namelithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
PubChem CID177413049
Molecular FormulaC24H24LiN3
Molecular Weight361.42 g/mol
Exact Mass361.21
IUPAC Namelithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
SMILESC[C@H](N[N-]N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12.[Li+]
InChIInChI=1S/C24H24N3.Li/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)25-27-26-18(2)22-16-8-12-20-10-4-6-14-24(20)22;/h3-18,25-26H,1-2H3;/q-1;+1/t17-,18-;/m0./s1
InChIKeyDJBWLPSYQQIELJ-APTPAJQOSA-N
XLogP3.20
TPSA38.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 35308399
1-[1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 42955136
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-[(1R)-1-naphthalen-1-ylethyl]formamide
CID 87180924
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
N-ethyl-3-naphthalen-1-ylbutan-1-amine
CID 81020058
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327

Frequently Asked Questions

What is the IUPAC name of lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide?
The IUPAC name of lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide (CID 177413049) is lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide.
What is the SMILES notation for lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide?
The canonical SMILES for lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide is C[C@H](N[N-]N[C@@H](C)c1cccc2ccccc12)c1cccc2ccccc12.[Li+].
What is the InChIKey of lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide?
The InChIKey is DJBWLPSYQQIELJ-APTPAJQOSA-N. The full InChI is InChI=1S/C24H24N3.Li/c1-17(21-15-7-11-19-9-3-5-13-23(19)21)25-27-26-18(2)22-16-8-12-20-10-4-6-14-24(20)22;/h3-18,25-26H,1-2H3;/q-1;+1/t17-,18-;/m0./s1.
What are the key properties of lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide?
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide has a molecular weight of 361.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide is sourced from PubChem (CID 177413049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).