3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine

C33H71NO2Si — CID 152765452

IUPAC3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine
SMILESCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCC)[SiH2]CC(C)CN
InChIInChI=1S/C33H71NO2Si/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35-33(37-31-32(3)30-34)36-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33H,4-31,34,37H2,1-3H3
InChIKeyJVHBJEVMLHNEQR-UHFFFAOYSA-N
MW542.02 g/mol
LogP9.89
Rot. Bonds32

About 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine

3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine (PubChem CID 152765452) has the molecular formula C33H71NO2Si and a molecular weight of 542.02 g/mol. Its IUPAC name is 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine
PubChem CID152765452
Molecular FormulaC33H71NO2Si
Molecular Weight542.02 g/mol
Exact Mass541.53
IUPAC Name3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine
SMILESCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCC)[SiH2]CC(C)CN
InChIInChI=1S/C33H71NO2Si/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35-33(37-31-32(3)30-34)36-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33H,4-31,34,37H2,1-3H3
InChIKeyJVHBJEVMLHNEQR-UHFFFAOYSA-N
XLogP9.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.02
LogP ≤ 59.89
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

2-methyl-3-trihexadecoxysilylpropan-1-amine
CID 87404816
3-[didodecoxy(methyl)silyl]-2-methylpropan-1-amine
CID 87404887
17-dodecoxy-17-hexadecoxysilyloxy-2-methylheptadecan-1-amine
CID 173496876
octoxymethanediamine
CID 142625053
2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
1-pentoxyethanamine
CID 57262541
2-methyloctadecan-1-amine
CID 56980469
(15-amino-14-methylpentadecyl) tritetradecyl silicate
CID 175996343
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
ethyl 2-nonoxypropanoate
CID 88680880
2-dodecoxy-3-hexadecoxypropan-1-amine
CID 10299682

Frequently Asked Questions

What is the IUPAC name of 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine (CID 152765452) is 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine is CCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCC)[SiH2]CC(C)CN.
What is the InChIKey of 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine?
The InChIKey is JVHBJEVMLHNEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H71NO2Si/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35-33(37-31-32(3)30-34)36-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33H,4-31,34,37H2,1-3H3.
What are the key properties of 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine?
3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine has a molecular weight of 542.02 g/mol, XLogP of 9.89, 32 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(tetradecoxy)methylsilyl]-2-methylpropan-1-amine is sourced from PubChem (CID 152765452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).