3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine

C12H29NO2Si — CID 154382154

IUPAC3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine
SMILESCC(C)COC(OCC(C)C)[SiH2]CCCN
InChIInChI=1S/C12H29NO2Si/c1-10(2)8-14-12(15-9-11(3)4)16-7-5-6-13/h10-12H,5-9,13,16H2,1-4H3
InChIKeyPFFSOGYRODTPGC-UHFFFAOYSA-N
MW247.45 g/mol
LogP1.55
Rot. Bonds10

About 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine

3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine (PubChem CID 154382154) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine.

Molecular Properties

Compound Name3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine
PubChem CID154382154
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine
SMILESCC(C)COC(OCC(C)C)[SiH2]CCCN
InChIInChI=1S/C12H29NO2Si/c1-10(2)8-14-12(15-9-11(3)4)16-7-5-6-13/h10-12H,5-9,13,16H2,1-4H3
InChIKeyPFFSOGYRODTPGC-UHFFFAOYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[bis(2-methylpropoxy)methylsilyl]propane-1-thiol
CID 123821142
2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 173180517
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
3-(diethoxymethylsilyl)propan-1-amine;4-oxobutanoic acid
CID 158760042
dipropoxymethyl-[3-(dipropoxymethylsilyl)propyl]silane
CID 123262117
3-(diethoxymethylsilyl)-N-[3-(diethoxymethylsilyl)propyl]-N-methylpropan-1-amine
CID 154169391
diethoxymethyl(heptadecyl)silane
CID 154220252
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
3-(diethoxymethylsilyl)-N,N-bis(trimethylsilyl)propan-1-amine
CID 149152613
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
bis(2-methylpropoxy)methylsilane
CID 123767341

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine?
The IUPAC name of 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine (CID 154382154) is 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine.
What is the SMILES notation for 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine?
The canonical SMILES for 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine is CC(C)COC(OCC(C)C)[SiH2]CCCN.
What is the InChIKey of 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine?
The InChIKey is PFFSOGYRODTPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-10(2)8-14-12(15-9-11(3)4)16-7-5-6-13/h10-12H,5-9,13,16H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine?
3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 1.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropoxy)methylsilyl]propan-1-amine is sourced from PubChem (CID 154382154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).