N-(trihydroxysilylmethyl)but-3-en-1-amine

C5H13NO3Si — CID 87682053

IUPACN-(trihydroxysilylmethyl)but-3-en-1-amine
SMILESC=CCCNC[Si](O)(O)O
InChIInChI=1S/C5H13NO3Si/c1-2-3-4-6-5-10(7,8)9/h2,6-9H,1,3-5H2
InChIKeyDIKVCUNSYGXRAX-UHFFFAOYSA-N
MW163.25 g/mol
LogP-1.39
Rot. Bonds5

About N-(trihydroxysilylmethyl)but-3-en-1-amine

N-(trihydroxysilylmethyl)but-3-en-1-amine (PubChem CID 87682053) has the molecular formula C5H13NO3Si and a molecular weight of 163.25 g/mol. Its IUPAC name is N-(trihydroxysilylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(trihydroxysilylmethyl)but-3-en-1-amine
PubChem CID87682053
Molecular FormulaC5H13NO3Si
Molecular Weight163.25 g/mol
Exact Mass163.07
IUPAC NameN-(trihydroxysilylmethyl)but-3-en-1-amine
SMILESC=CCCNC[Si](O)(O)O
InChIInChI=1S/C5H13NO3Si/c1-2-3-4-6-5-10(7,8)9/h2,6-9H,1,3-5H2
InChIKeyDIKVCUNSYGXRAX-UHFFFAOYSA-N
XLogP-1.39
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enylbut-3-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 87793604
but-3-enyl(trihydroxy)silane;hexakis(yttrium)
CID 20700315
N-(2-chloroethyl)but-3-en-1-amine
CID 55287315
2-(but-3-enylamino)ethylcarbamic acid
CID 154941093
3-(but-3-enylamino)propane-1,2-diol
CID 66175706
2-(but-3-enylamino)ethanesulfonic acid
CID 87607348
N-chlorobut-3-en-1-amine
CID 12815215
N-iodobut-3-en-1-amine
CID 134427978
3-[(but-3-enylamino)methyl]cyclopentan-1-ol
CID 106128983
(Z)-4-(but-3-enylamino)-3-methylbut-2-enoic acid
CID 103266314
formic acid;hexa-1,5-diene
CID 174904293
(E)-4-[2-[2-[2-(but-3-enylamino)ethylamino]ethylamino]ethylamino]-4-oxobut-2-enoic acid
CID 101277489

Frequently Asked Questions

What is the IUPAC name of N-(trihydroxysilylmethyl)but-3-en-1-amine?
The IUPAC name of N-(trihydroxysilylmethyl)but-3-en-1-amine (CID 87682053) is N-(trihydroxysilylmethyl)but-3-en-1-amine.
What is the SMILES notation for N-(trihydroxysilylmethyl)but-3-en-1-amine?
The canonical SMILES for N-(trihydroxysilylmethyl)but-3-en-1-amine is C=CCCNC[Si](O)(O)O.
What is the InChIKey of N-(trihydroxysilylmethyl)but-3-en-1-amine?
The InChIKey is DIKVCUNSYGXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3Si/c1-2-3-4-6-5-10(7,8)9/h2,6-9H,1,3-5H2.
What are the key properties of N-(trihydroxysilylmethyl)but-3-en-1-amine?
N-(trihydroxysilylmethyl)but-3-en-1-amine has a molecular weight of 163.25 g/mol, XLogP of -1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trihydroxysilylmethyl)but-3-en-1-amine is sourced from PubChem (CID 87682053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).