(1-amino-3-methylpent-4-enyl)boronic acid

C6H14BNO2 — CID 123194636

IUPAC(1-amino-3-methylpent-4-enyl)boronic acid
SMILESC=CC(C)CC(N)B(O)O
InChIInChI=1S/C6H14BNO2/c1-3-5(2)4-6(8)7(9)10/h3,5-6,9-10H,1,4,8H2,2H3
InChIKeyHEVSHMJTJOIGKC-UHFFFAOYSA-N
MW142.99 g/mol
LogP-0.46
Rot. Bonds4

About (1-amino-3-methylpent-4-enyl)boronic acid

(1-amino-3-methylpent-4-enyl)boronic acid (PubChem CID 123194636) has the molecular formula C6H14BNO2 and a molecular weight of 142.99 g/mol. Its IUPAC name is (1-amino-3-methylpent-4-enyl)boronic acid.

Molecular Properties

Compound Name(1-amino-3-methylpent-4-enyl)boronic acid
PubChem CID123194636
Molecular FormulaC6H14BNO2
Molecular Weight142.99 g/mol
Exact Mass143.11
IUPAC Name(1-amino-3-methylpent-4-enyl)boronic acid
SMILESC=CC(C)CC(N)B(O)O
InChIInChI=1S/C6H14BNO2/c1-3-5(2)4-6(8)7(9)10/h3,5-6,9-10H,1,4,8H2,2H3
InChIKeyHEVSHMJTJOIGKC-UHFFFAOYSA-N
XLogP-0.46
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.99
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
(2S)-but-3-en-2-amine
CID 10034575
(3S,5R)-3,5-dimethylhept-6-en-2-one
CID 131859012
2,6-dimethyloct-7-ene-4-sulfonamide
CID 166665383
(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
CID 145359201
(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
CID 135000910
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
3-ethenyl-2,5-dimethylhept-6-en-1-amine
CID 139449270
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylpent-4-enyl)boronic acid?
The IUPAC name of (1-amino-3-methylpent-4-enyl)boronic acid (CID 123194636) is (1-amino-3-methylpent-4-enyl)boronic acid.
What is the SMILES notation for (1-amino-3-methylpent-4-enyl)boronic acid?
The canonical SMILES for (1-amino-3-methylpent-4-enyl)boronic acid is C=CC(C)CC(N)B(O)O.
What is the InChIKey of (1-amino-3-methylpent-4-enyl)boronic acid?
The InChIKey is HEVSHMJTJOIGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BNO2/c1-3-5(2)4-6(8)7(9)10/h3,5-6,9-10H,1,4,8H2,2H3.
What are the key properties of (1-amino-3-methylpent-4-enyl)boronic acid?
(1-amino-3-methylpent-4-enyl)boronic acid has a molecular weight of 142.99 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylpent-4-enyl)boronic acid is sourced from PubChem (CID 123194636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).