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

C16H35NOSi — CID 146018995

IUPACcis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCC(C)[Si](OCC[C@@H]1C[C@H]1N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H35NOSi/c1-12(2)19(13(3)4,14(5)6)18-10-9-15-11-16(15)17(7)8/h12-16H,9-11H2,1-8H3/t15-,16-/m1/s1
InChIKeyPJDUGXJJIWDPPM-HZPDHXFCSA-N
MW285.55 g/mol
LogP4.52
Rot. Bonds8

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

cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (PubChem CID 146018995) has the molecular formula C16H35NOSi and a molecular weight of 285.55 g/mol. Its IUPAC name is cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
PubChem CID146018995
Molecular FormulaC16H35NOSi
Molecular Weight285.55 g/mol
Exact Mass285.25
IUPAC Namecis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCC(C)[Si](OCC[C@@H]1C[C@H]1N(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H35NOSi/c1-12(2)19(13(3)4,14(5)6)18-10-9-15-11-16(15)17(7)8/h12-16H,9-11H2,1-8H3/t15-,16-/m1/s1
InChIKeyPJDUGXJJIWDPPM-HZPDHXFCSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 54.52
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-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (CID 146018995) is cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is CC(C)[Si](OCC[C@@H]1C[C@H]1N(C)C)(C(C)C)C(C)C.
What is the InChIKey of cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The InChIKey is PJDUGXJJIWDPPM-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H35NOSi/c1-12(2)19(13(3)4,14(5)6)18-10-9-15-11-16(15)17(7)8/h12-16H,9-11H2,1-8H3/t15-,16-/m1/s1.
What are the key properties of cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine has a molecular weight of 285.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N,N-dimethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is sourced from PubChem (CID 146018995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).