[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium

C10H25N2+ — CID 134966540

IUPAC[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium
SMILESCC[NH+](CC)C[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-6-12(7-2)8-9(11)10(3,4)5/h9H,6-8,11H2,1-5H3/p+1/t9-/m1/s1
InChIKeyTWSWWTQEYGSYFZ-SECBINFHSA-O
MW173.32 g/mol
LogP0.28
Rot. Bonds4

About [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium

[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium (PubChem CID 134966540) has the molecular formula C10H25N2+ and a molecular weight of 173.32 g/mol. Its IUPAC name is [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium.

Molecular Properties

Compound Name[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium
PubChem CID134966540
Molecular FormulaC10H25N2+
Molecular Weight173.32 g/mol
Exact Mass173.20
IUPAC Name[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium
SMILESCC[NH+](CC)C[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-6-12(7-2)8-9(11)10(3,4)5/h9H,6-8,11H2,1-5H3/p+1/t9-/m1/s1
InChIKeyTWSWWTQEYGSYFZ-SECBINFHSA-O
XLogP0.28
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
1-(3,3-Dimethylbutyl)piperazine
CID 23112345
N'-(1,1-dimethylpropyl)-N-isopropyl-ethane-1,2-diamine
CID 469914
(2-Aminopropyl)(butyl)methylamine
CID 20117265
1-Methyl-3-(propan-2-yl)piperazine
CID 53621934
1-Methyl-2-(propan-2-yl)piperazine
CID 54484837
((2S)-2-amino-3-methylbutyl)(ethyl)amine
CID 93599982
N,N'-Bis(3-methyl-2-butyl)-ethylenediamine
CID 469904
N,N'-Bis(3,3-dimethyl-2-butyl)-ethylenediamine
CID 469908
2-Tert-butyl-1,4,7,10-tetrazacyclododecane
CID 44453868
3,3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]butan-2-amine
CID 75427966
1-N,1-N-diethyl-2-N-propan-2-ylpropane-1,2-diamine
CID 58660081

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium?
The IUPAC name of [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium (CID 134966540) is [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium.
What is the SMILES notation for [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium?
The canonical SMILES for [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium is CC[NH+](CC)C[C@@H](N)C(C)(C)C.
What is the InChIKey of [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium?
The InChIKey is TWSWWTQEYGSYFZ-SECBINFHSA-O. The full InChI is InChI=1S/C10H24N2/c1-6-12(7-2)8-9(11)10(3,4)5/h9H,6-8,11H2,1-5H3/p+1/t9-/m1/s1.
What are the key properties of [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium?
[(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium has a molecular weight of 173.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3,3-dimethylbutyl]-diethylazanium is sourced from PubChem (CID 134966540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).