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

C21H45NOSi — CID 15321159

IUPAC(1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCCC[C@]1(N(CC)CC)CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H45NOSi/c1-10-14-21(22(11-2)12-3)16-20(21)13-15-23-24(17(4)5,18(6)7)19(8)9/h17-20H,10-16H2,1-9H3/t20?,21-/m0/s1
InChIKeyXLUAHOXYVGMQRD-LBAQZLPGSA-N
MW355.68 g/mol
LogP6.47
Rot. Bonds12

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

(1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (PubChem CID 15321159) has the molecular formula C21H45NOSi and a molecular weight of 355.68 g/mol. Its IUPAC name is (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
PubChem CID15321159
Molecular FormulaC21H45NOSi
Molecular Weight355.68 g/mol
Exact Mass355.33
IUPAC Name(1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine
SMILESCCC[C@]1(N(CC)CC)CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H45NOSi/c1-10-14-21(22(11-2)12-3)16-20(21)13-15-23-24(17(4)5,18(6)7)19(8)9/h17-20H,10-16H2,1-9H3/t20?,21-/m0/s1
InChIKeyXLUAHOXYVGMQRD-LBAQZLPGSA-N
XLogP6.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 56.47
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-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The IUPAC name of (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine (CID 15321159) is (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine.
What is the SMILES notation for (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The canonical SMILES for (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is CCC[C@]1(N(CC)CC)CC1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
The InChIKey is XLUAHOXYVGMQRD-LBAQZLPGSA-N. The full InChI is InChI=1S/C21H45NOSi/c1-10-14-21(22(11-2)12-3)16-20(21)13-15-23-24(17(4)5,18(6)7)19(8)9/h17-20H,10-16H2,1-9H3/t20?,21-/m0/s1.
What are the key properties of (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine?
(1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine has a molecular weight of 355.68 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-diethyl-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-amine is sourced from PubChem (CID 15321159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).