1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine

C14H26N2Si — CID 123198597

IUPAC1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine
SMILESCN(C)C(CCC[SiH2]c1ccccc1)N(C)C
InChIInChI=1S/C14H26N2Si/c1-15(2)14(16(3)4)11-8-12-17-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12,17H2,1-4H3
InChIKeyNVDCDPPPKOASJT-UHFFFAOYSA-N
MW250.46 g/mol
LogP1.13
Rot. Bonds7

About 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine

1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine (PubChem CID 123198597) has the molecular formula C14H26N2Si and a molecular weight of 250.46 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine
PubChem CID123198597
Molecular FormulaC14H26N2Si
Molecular Weight250.46 g/mol
Exact Mass250.19
IUPAC Name1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine
SMILESCN(C)C(CCC[SiH2]c1ccccc1)N(C)C
InChIInChI=1S/C14H26N2Si/c1-15(2)14(16(3)4)11-8-12-17-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12,17H2,1-4H3
InChIKeyNVDCDPPPKOASJT-UHFFFAOYSA-N
XLogP1.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine (CID 123198597) is 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine is CN(C)C(CCC[SiH2]c1ccccc1)N(C)C.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine?
The InChIKey is NVDCDPPPKOASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2Si/c1-15(2)14(16(3)4)11-8-12-17-13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12,17H2,1-4H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine has a molecular weight of 250.46 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetramethyl-4-phenylsilylbutane-1,1-diamine is sourced from PubChem (CID 123198597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).