4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine

C17H31NOSi — CID 106009810

IUPAC4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
SMILESCC(C)OCCCCNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H31NOSi/c1-15(2)19-13-7-6-12-18-14-16-8-10-17(11-9-16)20(3,4)5/h8-11,15,18H,6-7,12-14H2,1-5H3
InChIKeyHCYPZAUQJFHYSK-UHFFFAOYSA-N
MW293.53 g/mol
LogP3.53
Rot. Bonds9

About 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine

4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine (PubChem CID 106009810) has the molecular formula C17H31NOSi and a molecular weight of 293.53 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
PubChem CID106009810
Molecular FormulaC17H31NOSi
Molecular Weight293.53 g/mol
Exact Mass293.22
IUPAC Name4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
SMILESCC(C)OCCCCNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H31NOSi/c1-15(2)19-13-7-6-12-18-14-16-8-10-17(11-9-16)20(3,4)5/h8-11,15,18H,6-7,12-14H2,1-5H3
InChIKeyHCYPZAUQJFHYSK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438060
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
N-[(3-chloro-4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106833872
N'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754
4-[(3-propan-2-yloxypropylamino)methyl]benzoic acid
CID 17207100
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-propan-2-yloxybutan-1-amine
CID 106007539
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine (CID 106009810) is 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine is CC(C)OCCCCNCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
The InChIKey is HCYPZAUQJFHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOSi/c1-15(2)19-13-7-6-12-18-14-16-8-10-17(11-9-16)20(3,4)5/h8-11,15,18H,6-7,12-14H2,1-5H3.
What are the key properties of 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine has a molecular weight of 293.53 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 106009810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).