[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid

C17H36N2O3Si — CID 69470629

IUPAC[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid
SMILESCNCC(CC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)O
InChIInChI=1S/C17H36N2O3Si/c1-17(2,3)23(5,6)22-15-9-7-13(8-10-15)11-14(12-18-4)19-16(20)21/h13-15,18-19H,7-12H2,1-6H3,(H,20,21)
InChIKeyQDYNPQXVCKAANR-UHFFFAOYSA-N
MW344.57 g/mol
LogP3.81
Rot. Bonds7

About [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid

[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid (PubChem CID 69470629) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid
PubChem CID69470629
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid
SMILESCNCC(CC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)O
InChIInChI=1S/C17H36N2O3Si/c1-17(2,3)23(5,6)22-15-9-7-13(8-10-15)11-14(12-18-4)19-16(20)21/h13-15,18-19H,7-12H2,1-6H3,(H,20,21)
InChIKeyQDYNPQXVCKAANR-UHFFFAOYSA-N
XLogP3.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamate
CID 17802428
tert-butyl N-[(2S,3S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbutan-2-yl]carbamate
CID 53965468
2-(trimethylsilyl)ethyl (2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutylcarbamate
CID 57462031
2-trimethylsilylethyl N-[(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutyl]carbamate
CID 57462032
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(dimethylamino)propan-2-yl]carbamate
CID 57544549
tert-butyl N-[(2S)-2-amino-3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propyl]-N-methylcarbamate
CID 57544939
2-(trimethylsilyl)ethyl (2S,3S)-3-amino-4-cyclohexyl-2-(trimethylsilyloxy)butylcarbamate
CID 57786504
tert-butyl (S)-1-(4-(t-butyldimethylsilyloxy)cyclohexyl)-3-(methylamino)propan-2-ylcarbamate
CID 59382970
(2S)-2-(t-butoxycarbonylamino)-3-(4-(t-butyldimethylsilyloxy)cyclohexyl)propan-1-ol
CID 59382972
[(3S)-4-cyclohexyl-2-hydroxy-3-(2-trimethylsilylethylamino)butyl]carbamic acid
CID 66862093
[(2S,3S)-3-amino-4-cyclohexyl-2-trimethylsilyloxybutyl]-(2-trimethylsilylethyl)carbamic acid
CID 66862137
[(3S)-4-cyclohexyl-3-(2-trimethylsilylethylamino)-2-trimethylsilyloxybutyl]carbamic acid
CID 66862632

Frequently Asked Questions

What is the IUPAC name of [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid?
The IUPAC name of [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid (CID 69470629) is [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid is CNCC(CC1CCC(O[Si](C)(C)C(C)(C)C)CC1)NC(=O)O.
What is the InChIKey of [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid?
The InChIKey is QDYNPQXVCKAANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-17(2,3)23(5,6)22-15-9-7-13(8-10-15)11-14(12-18-4)19-16(20)21/h13-15,18-19H,7-12H2,1-6H3,(H,20,21).
What are the key properties of [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid?
[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid has a molecular weight of 344.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-(methylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 69470629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).