[4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine

C16H23NSi — CID 174657861

IUPAC[4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine
SMILESCC1=C(c2ccc(CN)cc2)C(C)(C)C(C)=C1[SiH3]
InChIInChI=1S/C16H23NSi/c1-10-14(16(3,4)11(2)15(10)18)13-7-5-12(9-17)6-8-13/h5-8H,9,17H2,1-4,18H3
InChIKeyIOZMUGHDIFNIAO-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.60
Rot. Bonds2

About [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine

[4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine (PubChem CID 174657861) has the molecular formula C16H23NSi and a molecular weight of 257.45 g/mol. Its IUPAC name is [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine
PubChem CID174657861
Molecular FormulaC16H23NSi
Molecular Weight257.45 g/mol
Exact Mass257.16
IUPAC Name[4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine
SMILESCC1=C(c2ccc(CN)cc2)C(C)(C)C(C)=C1[SiH3]
InChIInChI=1S/C16H23NSi/c1-10-14(16(3,4)11(2)15(10)18)13-7-5-12(9-17)6-8-13/h5-8H,9,17H2,1-4,18H3
InChIKeyIOZMUGHDIFNIAO-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,5-dimethyl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine
CID 174773540
N-methylmethanamine;(4-methylphenyl)methanamine
CID 163390626
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine
CID 174773769
[4-(3-methyldiazirin-3-yl)phenyl]methanamine
CID 163612926
N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
[4-(3-bromo-2-methylphenyl)phenyl]methanamine
CID 140933850
[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 82468594
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954

Frequently Asked Questions

What is the IUPAC name of [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine?
The IUPAC name of [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine (CID 174657861) is [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine is CC1=C(c2ccc(CN)cc2)C(C)(C)C(C)=C1[SiH3].
What is the InChIKey of [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine?
The InChIKey is IOZMUGHDIFNIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NSi/c1-10-14(16(3,4)11(2)15(10)18)13-7-5-12(9-17)6-8-13/h5-8H,9,17H2,1-4,18H3.
What are the key properties of [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine?
[4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine has a molecular weight of 257.45 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4,5,5-tetramethyl-3-silylcyclopenta-1,3-dien-1-yl)phenyl]methanamine is sourced from PubChem (CID 174657861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).