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

C17H37NOSi — CID 10614124

IUPACcis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCC(C)[Si](OCC[C@@H]1C[C@]1(C)N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H37NOSi/c1-13(2)20(14(3)4,15(5)6)19-11-10-16-12-17(16,7)18(8)9/h13-16H,10-12H2,1-9H3/t16-,17+/m1/s1
InChIKeyIOUDHSRMDYDPSO-SJORKVTESA-N
MW299.58 g/mol
LogP4.91
Rot. Bonds8

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

cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (PubChem CID 10614124) has the molecular formula C17H37NOSi and a molecular weight of 299.58 g/mol. Its IUPAC name is cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
PubChem CID10614124
Molecular FormulaC17H37NOSi
Molecular Weight299.58 g/mol
Exact Mass299.26
IUPAC Namecis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCC(C)[Si](OCC[C@@H]1C[C@]1(C)N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H37NOSi/c1-13(2)20(14(3)4,15(5)6)19-11-10-16-12-17(16,7)18(8)9/h13-16H,10-12H2,1-9H3/t16-,17+/m1/s1
InChIKeyIOUDHSRMDYDPSO-SJORKVTESA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (CID 10614124) is cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is CC(C)[Si](OCC[C@@H]1C[C@]1(C)N(C)C)(C(C)C)C(C)C.
What is the InChIKey of cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The InChIKey is IOUDHSRMDYDPSO-SJORKVTESA-N. The full InChI is InChI=1S/C17H37NOSi/c1-13(2)20(14(3)4,15(5)6)19-11-10-16-12-17(16,7)18(8)9/h13-16H,10-12H2,1-9H3/t16-,17+/m1/s1.
What are the key properties of cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine has a molecular weight of 299.58 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N,N,1-trimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is sourced from PubChem (CID 10614124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).