N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

C23H43NO4Si — CID 142740307

IUPACN-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCCCO[Si](CCCN(CCCOC)CCOC)(Cc1ccccc1)OCCC
InChIInChI=1S/C23H43NO4Si/c1-5-17-27-29(28-18-6-2,22-23-12-8-7-9-13-23)21-11-15-24(16-20-26-4)14-10-19-25-3/h7-9,12-13H,5-6,10-11,14-22H2,1-4H3
InChIKeyPMTJIOUUJHZGNM-UHFFFAOYSA-N
MW425.69 g/mol
LogP4.44
Rot. Bonds19

About N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine

N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (PubChem CID 142740307) has the molecular formula C23H43NO4Si and a molecular weight of 425.69 g/mol. Its IUPAC name is N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound NameN-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
PubChem CID142740307
Molecular FormulaC23H43NO4Si
Molecular Weight425.69 g/mol
Exact Mass425.30
IUPAC NameN-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
SMILESCCCO[Si](CCCN(CCCOC)CCOC)(Cc1ccccc1)OCCC
InChIInChI=1S/C23H43NO4Si/c1-5-17-27-29(28-18-6-2,22-23-12-8-7-9-13-23)21-11-15-24(16-20-26-4)14-10-19-25-3/h7-9,12-13H,5-6,10-11,14-22H2,1-4H3
InChIKeyPMTJIOUUJHZGNM-UHFFFAOYSA-N
XLogP4.44
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.69
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-[3-[ethyl(dimethoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 142740314
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
N,N-bis(2-phenylethyl)-3-trimethoxysilylpropan-1-amine
CID 141324806
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
CID 113468128
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
3-[[3-(diethylamino)propyl-dipropoxysilyl]methyl-dipropoxysilyl]-N,N-diethylpropan-1-amine;bis(N,N-diethylpropan-1-amine)
CID 159692007
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine (CID 142740307) is N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is CCCO[Si](CCCN(CCCOC)CCOC)(Cc1ccccc1)OCCC.
What is the InChIKey of N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is PMTJIOUUJHZGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO4Si/c1-5-17-27-29(28-18-6-2,22-23-12-8-7-9-13-23)21-11-15-24(16-20-26-4)14-10-19-25-3/h7-9,12-13H,5-6,10-11,14-22H2,1-4H3.
What are the key properties of N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine?
N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 425.69 g/mol, XLogP of 4.44, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(dipropoxy)silyl]propyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 142740307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).