2-(trimethoxysilylmethyl)pentane-1,3-diamine

C9H24N2O3Si — CID 87209337

IUPAC2-(trimethoxysilylmethyl)pentane-1,3-diamine
SMILESCCC(N)C(CN)C[Si](OC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-5-9(11)8(6-10)7-15(12-2,13-3)14-4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyABGMNFKXSGMPBU-UHFFFAOYSA-N
MW236.39 g/mol
LogP0.18
Rot. Bonds8

About 2-(trimethoxysilylmethyl)pentane-1,3-diamine

2-(trimethoxysilylmethyl)pentane-1,3-diamine (PubChem CID 87209337) has the molecular formula C9H24N2O3Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 2-(trimethoxysilylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name2-(trimethoxysilylmethyl)pentane-1,3-diamine
PubChem CID87209337
Molecular FormulaC9H24N2O3Si
Molecular Weight236.39 g/mol
Exact Mass236.16
IUPAC Name2-(trimethoxysilylmethyl)pentane-1,3-diamine
SMILESCCC(N)C(CN)C[Si](OC)(OC)OC
InChIInChI=1S/C9H24N2O3Si/c1-5-9(11)8(6-10)7-15(12-2,13-3)14-4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyABGMNFKXSGMPBU-UHFFFAOYSA-N
XLogP0.18
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-3-trimethoxysilylpropan-1-ol
CID 154196411
2-(2-iodopropyl)pentane-1,3-diamine
CID 139572582
1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
hexane-3,4-diamine
CID 12656175
3-[dimethoxy(methyl)silyl]hexane-1,4-diamine
CID 175427853
3-methoxypentane-1,2-diamine
CID 131111146
2-ethyl-3-methoxybutan-1-amine
CID 88936076
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
2,2-difluoroethyl(trimethoxy)silane
CID 87720096
1-trimethoxysilylpropan-2-yl 2-aminoacetate
CID 87438269
3-[[dimethoxy(methyl)silyl]methyl]pentan-2-amine
CID 88815243
3-methyl-6-trimethoxysilylhexane-1,4-diamine
CID 175289204

Frequently Asked Questions

What is the IUPAC name of 2-(trimethoxysilylmethyl)pentane-1,3-diamine?
The IUPAC name of 2-(trimethoxysilylmethyl)pentane-1,3-diamine (CID 87209337) is 2-(trimethoxysilylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 2-(trimethoxysilylmethyl)pentane-1,3-diamine?
The canonical SMILES for 2-(trimethoxysilylmethyl)pentane-1,3-diamine is CCC(N)C(CN)C[Si](OC)(OC)OC.
What is the InChIKey of 2-(trimethoxysilylmethyl)pentane-1,3-diamine?
The InChIKey is ABGMNFKXSGMPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si/c1-5-9(11)8(6-10)7-15(12-2,13-3)14-4/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(trimethoxysilylmethyl)pentane-1,3-diamine?
2-(trimethoxysilylmethyl)pentane-1,3-diamine has a molecular weight of 236.39 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethoxysilylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 87209337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).