N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid

C7H19BN2O — CID 22091665

IUPACN-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid
SMILESCB(O)N(C)CCNC(C)C
InChIInChI=1S/C7H19BN2O/c1-7(2)9-5-6-10(4)8(3)11/h7,9,11H,5-6H2,1-4H3
InChIKeyPUZCEBBRLJRDEJ-UHFFFAOYSA-N
MW158.05 g/mol
LogP0.03
Rot. Bonds5

About N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid

N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid (PubChem CID 22091665) has the molecular formula C7H19BN2O and a molecular weight of 158.05 g/mol. Its IUPAC name is N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid.

Molecular Properties

Compound NameN-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid
PubChem CID22091665
Molecular FormulaC7H19BN2O
Molecular Weight158.05 g/mol
Exact Mass158.16
IUPAC NameN-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid
SMILESCB(O)N(C)CCNC(C)C
InChIInChI=1S/C7H19BN2O/c1-7(2)9-5-6-10(4)8(3)11/h7,9,11H,5-6H2,1-4H3
InChIKeyPUZCEBBRLJRDEJ-UHFFFAOYSA-N
XLogP0.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.05
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;molecular hydrogen
CID 145190713
1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol
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2-(dimethylamino)-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
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N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
1-[[methyl-[2-(propan-2-ylamino)ethyl]amino]methyl]cyclopentan-1-ol
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N-(2-propan-2-yloxyethyl)propan-2-amine
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4-(propan-2-ylamino)butan-1-ol
CID 12950986
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid?
The IUPAC name of N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid (CID 22091665) is N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid.
What is the SMILES notation for N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid?
The canonical SMILES for N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid is CB(O)N(C)CCNC(C)C.
What is the InChIKey of N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid?
The InChIKey is PUZCEBBRLJRDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19BN2O/c1-7(2)9-5-6-10(4)8(3)11/h7,9,11H,5-6H2,1-4H3.
What are the key properties of N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid?
N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid has a molecular weight of 158.05 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethyl-N-[2-(propan-2-ylamino)ethyl]boronamidic acid is sourced from PubChem (CID 22091665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).