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

C18H39NOSi — CID 134905975

IUPAC(1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCCN(CC)[C@H]1CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H39NOSi/c1-9-19(10-2)18-13-17(18)11-12-20-21(14(3)4,15(5)6)16(7)8/h14-18H,9-13H2,1-8H3/t17?,18-/m0/s1
InChIKeyHFZOMNXMIFJLQL-ZVAWYAOSSA-N
MW313.60 g/mol
LogP5.30
Rot. Bonds10

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

(1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (PubChem CID 134905975) has the molecular formula C18H39NOSi and a molecular weight of 313.60 g/mol. Its IUPAC name is (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
PubChem CID134905975
Molecular FormulaC18H39NOSi
Molecular Weight313.60 g/mol
Exact Mass313.28
IUPAC Name(1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCCN(CC)[C@H]1CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H39NOSi/c1-9-19(10-2)18-13-17(18)11-12-20-21(14(3)4,15(5)6)16(7)8/h14-18H,9-13H2,1-8H3/t17?,18-/m0/s1
InChIKeyHFZOMNXMIFJLQL-ZVAWYAOSSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.60
LogP ≤ 55.30
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 (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The IUPAC name of (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (CID 134905975) is (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is CCN(CC)[C@H]1CC1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The InChIKey is HFZOMNXMIFJLQL-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H39NOSi/c1-9-19(10-2)18-13-17(18)11-12-20-21(14(3)4,15(5)6)16(7)8/h14-18H,9-13H2,1-8H3/t17?,18-/m0/s1.
What are the key properties of (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
(1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine has a molecular weight of 313.60 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-diethyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is sourced from PubChem (CID 134905975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).