(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine

C18H31NOSi — CID 140530648

IUPAC(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine
SMILESCC(C)C(N)C(O[Si](C)(C)C)[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H31NOSi/c1-13(2)17(19)18(20-21(3,4)5)16(15-11-12-15)14-9-7-6-8-10-14/h6-10,13,15-18H,11-12,19H2,1-5H3/t16-,17?,18?/m1/s1
InChIKeyADJZUNHSRFAHST-WWDZGPRUSA-N
MW305.54 g/mol
LogP4.38
Rot. Bonds7

About (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine

(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine (PubChem CID 140530648) has the molecular formula C18H31NOSi and a molecular weight of 305.54 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine
PubChem CID140530648
Molecular FormulaC18H31NOSi
Molecular Weight305.54 g/mol
Exact Mass305.22
IUPAC Name(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine
SMILESCC(C)C(N)C(O[Si](C)(C)C)[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H31NOSi/c1-13(2)17(19)18(20-21(3,4)5)16(15-11-12-15)14-9-7-6-8-10-14/h6-10,13,15-18H,11-12,19H2,1-5H3/t16-,17?,18?/m1/s1
InChIKeyADJZUNHSRFAHST-WWDZGPRUSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-1-cyclopropylpropyl)benzene
CID 66470259
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
trimethyl(1-phenylethoxy)silane
CID 519015
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64628614
methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
CID 175237922
(2-benzyl-1-cyclopentyl-3-methylbutyl)benzene
CID 173352600
3,3,3-trifluoro-1-phenyl-2-trimethylsilyloxypropan-1-amine
CID 112548376
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
7-[2-methyl-1-(4-phenylphenyl)propyl]spiro[3.5]nonane
CID 145116259

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine?
The IUPAC name of (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine (CID 140530648) is (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine.
What is the SMILES notation for (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine?
The canonical SMILES for (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine is CC(C)C(N)C(O[Si](C)(C)C)[C@H](c1ccccc1)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine?
The InChIKey is ADJZUNHSRFAHST-WWDZGPRUSA-N. The full InChI is InChI=1S/C18H31NOSi/c1-13(2)17(19)18(20-21(3,4)5)16(15-11-12-15)14-9-7-6-8-10-14/h6-10,13,15-18H,11-12,19H2,1-5H3/t16-,17?,18?/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine?
(1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine has a molecular weight of 305.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-4-methyl-1-phenyl-2-trimethylsilyloxypentan-3-amine is sourced from PubChem (CID 140530648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).