3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine

C17H33NSi — CID 155618830

IUPAC3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine
SMILESCC(C)[Si](C#CC1CCCC(N)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H33NSi/c1-13(2)19(14(3)4,15(5)6)11-10-16-8-7-9-17(18)12-16/h13-17H,7-9,12,18H2,1-6H3
InChIKeyZBQJWTFJRVXFSL-UHFFFAOYSA-N
MW279.54 g/mol
LogP4.73
Rot. Bonds3

About 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine

3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine (PubChem CID 155618830) has the molecular formula C17H33NSi and a molecular weight of 279.54 g/mol. Its IUPAC name is 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine
PubChem CID155618830
Molecular FormulaC17H33NSi
Molecular Weight279.54 g/mol
Exact Mass279.24
IUPAC Name3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine
SMILESCC(C)[Si](C#CC1CCCC(N)C1)(C(C)C)C(C)C
InChIInChI=1S/C17H33NSi/c1-13(2)19(14(3)4,15(5)6)11-10-16-8-7-9-17(18)12-16/h13-17H,7-9,12,18H2,1-6H3
InChIKeyZBQJWTFJRVXFSL-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethynylcyclohexan-1-amine
CID 134515034
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363
(3S)-3-methylcyclohexan-1-amine
CID 55284906
1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
2-[(1S,3S)-3-aminocyclohexyl]acetonitrile
CID 125469996
cyclohexanamine;2-methylpropan-1-amine
CID 22649730
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
CID 79469037

Frequently Asked Questions

What is the IUPAC name of 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine?
The IUPAC name of 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine (CID 155618830) is 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine?
The canonical SMILES for 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine is CC(C)[Si](C#CC1CCCC(N)C1)(C(C)C)C(C)C.
What is the InChIKey of 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine?
The InChIKey is ZBQJWTFJRVXFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NSi/c1-13(2)19(14(3)4,15(5)6)11-10-16-8-7-9-17(18)12-16/h13-17H,7-9,12,18H2,1-6H3.
What are the key properties of 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine?
3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine has a molecular weight of 279.54 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine is sourced from PubChem (CID 155618830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).