N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride

C17H32ClNO2Si — CID 175433479

IUPACN-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride
SMILESCCC(CC)(NCCC[Si](C)(OC)OC)c1ccccc1.Cl
InChIInChI=1S/C17H31NO2Si.ClH/c1-6-17(7-2,16-12-9-8-10-13-16)18-14-11-15-21(5,19-3)20-4;/h8-10,12-13,18H,6-7,11,14-15H2,1-5H3;1H
InChIKeyOFBRYJKAPXIYCE-UHFFFAOYSA-N
MW345.99 g/mol
LogP4.47
Rot. Bonds10

About N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride

N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride (PubChem CID 175433479) has the molecular formula C17H32ClNO2Si and a molecular weight of 345.99 g/mol. Its IUPAC name is N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride
PubChem CID175433479
Molecular FormulaC17H32ClNO2Si
Molecular Weight345.99 g/mol
Exact Mass345.19
IUPAC NameN-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride
SMILESCCC(CC)(NCCC[Si](C)(OC)OC)c1ccccc1.Cl
InChIInChI=1S/C17H31NO2Si.ClH/c1-6-17(7-2,16-12-9-8-10-13-16)18-14-11-15-21(5,19-3)20-4;/h8-10,12-13,18H,6-7,11,14-15H2,1-5H3;1H
InChIKeyOFBRYJKAPXIYCE-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.99
LogP ≤ 54.47
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'}

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Related Compounds

1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
CID 19877442
3-phenyl-N-prop-2-enylpentan-3-amine
CID 174436500
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol
CID 174934490
[(2S)-2-(2-methoxyethylamino)-2-phenylbutyl] benzoate
CID 141358998
N-ethyl-3-phenylpentan-3-amine;octadecanamide;hydrochloride
CID 174665046
aniline;3-[dimethoxy(methyl)silyl]propan-1-ol
CID 174790638
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
CID 165388786
CID 165388786
N-(1,1-diphenylethyl)pentan-1-amine
CID 67665508
N-[dimethoxy(phenyl)methyl]propan-1-amine
CID 57151893

Frequently Asked Questions

What is the IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride?
The IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride (CID 175433479) is N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride.
What is the SMILES notation for N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride?
The canonical SMILES for N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride is CCC(CC)(NCCC[Si](C)(OC)OC)c1ccccc1.Cl.
What is the InChIKey of N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride?
The InChIKey is OFBRYJKAPXIYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2Si.ClH/c1-6-17(7-2,16-12-9-8-10-13-16)18-14-11-15-21(5,19-3)20-4;/h8-10,12-13,18H,6-7,11,14-15H2,1-5H3;1H.
What are the key properties of N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride?
N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride has a molecular weight of 345.99 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride is sourced from PubChem (CID 175433479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).