cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine

C22H47NOSi — CID 146018997

IUPACcis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCCCC[C@@]1(N(CC)CC)C[C@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H47NOSi/c1-10-13-15-22(23(11-2)12-3)17-21(22)14-16-24-25(18(4)5,19(6)7)20(8)9/h18-21H,10-17H2,1-9H3/t21-,22-/m1/s1
InChIKeyNPDNAKCNUHEMAW-FGZHOGPDSA-N
MW369.71 g/mol
LogP6.86
Rot. Bonds13

About cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine

cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (PubChem CID 146018997) has the molecular formula C22H47NOSi and a molecular weight of 369.71 g/mol. Its IUPAC name is cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
PubChem CID146018997
Molecular FormulaC22H47NOSi
Molecular Weight369.71 g/mol
Exact Mass369.34
IUPAC Namecis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCCCC[C@@]1(N(CC)CC)C[C@H]1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H47NOSi/c1-10-13-15-22(23(11-2)12-3)17-21(22)14-16-24-25(18(4)5,19(6)7)20(8)9/h18-21H,10-17H2,1-9H3/t21-,22-/m1/s1
InChIKeyNPDNAKCNUHEMAW-FGZHOGPDSA-N
XLogP6.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.71
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S)-4-methyl-4-azaspiro[2.4]heptan-2-yl]ethoxy-tri(propan-2-yl)silane
CID 10519129
2-[(1S,2S)-2-morpholin-4-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane
CID 10619114
2-[(2S,3S)-4-methyl-4-azaspiro[2.5]octan-2-yl]ethoxy-tri(propan-2-yl)silane
CID 10639777
(1S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 15315174
(1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 15321159
2-(2-Morpholin-4-yl-2-propylcyclopropyl)ethoxy-tri(propan-2-yl)silane
CID 85207742
(1S)-1-(7-bromoheptyl)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 134905892
(1S)-1-(7-bromoheptyl)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 134905893
(1S)-N,N-diethyl-1-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 134905899
(1S)-N,N-dimethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 134906166
trans-(1R,2R)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
CID 146018996
2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane
CID 146018998

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (CID 146018997) is cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is CCCC[C@@]1(N(CC)CC)C[C@H]1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The InChIKey is NPDNAKCNUHEMAW-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H47NOSi/c1-10-13-15-22(23(11-2)12-3)17-21(22)14-16-24-25(18(4)5,19(6)7)20(8)9/h18-21H,10-17H2,1-9H3/t21-,22-/m1/s1.
What are the key properties of cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine has a molecular weight of 369.71 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-butyl-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is sourced from PubChem (CID 146018997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).