CID 174145399

C19H34N3O2Si — CID 174145399

IUPAC—
SMILESCOc1cc(N2CCN(C)CC2)c(C(O[Si](C)C)C(C)(C)C)cc1N
InChIInChI=1S/C19H34N3O2Si/c1-19(2,3)18(24-25(6)7)14-12-15(20)17(23-5)13-16(14)22-10-8-21(4)9-11-22/h12-13,18H,8-11,20H2,1-7H3
InChIKeyLOXQOZRGRLZDTP-UHFFFAOYSA-N
MW364.59 g/mol
LogP3.38
Rot. Bonds5

About CID 174145399

CID 174145399 (PubChem CID 174145399) has the molecular formula C19H34N3O2Si and a molecular weight of 364.59 g/mol.

Molecular Properties

Compound NameCID 174145399
PubChem CID174145399
Molecular FormulaC19H34N3O2Si
Molecular Weight364.59 g/mol
Exact Mass364.24
IUPAC Name—
SMILESCOc1cc(N2CCN(C)CC2)c(C(O[Si](C)C)C(C)(C)C)cc1N
InChIInChI=1S/C19H34N3O2Si/c1-19(2,3)18(24-25(6)7)14-12-15(20)17(23-5)13-16(14)22-10-8-21(4)9-11-22/h12-13,18H,8-11,20H2,1-7H3
InChIKeyLOXQOZRGRLZDTP-UHFFFAOYSA-N
XLogP3.38
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[5-amino-2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]carbamate;tert-butyl N-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-(prop-2-enoylamino)phenyl]carbamate
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1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
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Frequently Asked Questions

What is the IUPAC name of CID 174145399?
The IUPAC name of CID 174145399 (CID 174145399) is not available.
What is the SMILES notation for CID 174145399?
The canonical SMILES for CID 174145399 is COc1cc(N2CCN(C)CC2)c(C(O[Si](C)C)C(C)(C)C)cc1N.
What is the InChIKey of CID 174145399?
The InChIKey is LOXQOZRGRLZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N3O2Si/c1-19(2,3)18(24-25(6)7)14-12-15(20)17(23-5)13-16(14)22-10-8-21(4)9-11-22/h12-13,18H,8-11,20H2,1-7H3.
What are the key properties of CID 174145399?
CID 174145399 has a molecular weight of 364.59 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174145399 is sourced from PubChem (CID 174145399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).