1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine

C14H33N3Si — CID 159110043

IUPAC1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine
SMILESCCCCCCC/N=C(\N(C)C)N(C)C[SiH](C)C
InChIInChI=1S/C14H33N3Si/c1-7-8-9-10-11-12-15-14(16(2)3)17(4)13-18(5)6/h18H,7-13H2,1-6H3/b15-14+
InChIKeyKEJKDXCPCHOYQO-CCEZHUSRSA-N
MW271.52 g/mol
LogP2.83
Rot. Bonds8

About 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine

1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine (PubChem CID 159110043) has the molecular formula C14H33N3Si and a molecular weight of 271.52 g/mol. Its IUPAC name is 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine.

Molecular Properties

Compound Name1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine
PubChem CID159110043
Molecular FormulaC14H33N3Si
Molecular Weight271.52 g/mol
Exact Mass271.24
IUPAC Name1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine
SMILESCCCCCCC/N=C(\N(C)C)N(C)C[SiH](C)C
InChIInChI=1S/C14H33N3Si/c1-7-8-9-10-11-12-15-14(16(2)3)17(4)13-18(5)6/h18H,7-13H2,1-6H3/b15-14+
InChIKeyKEJKDXCPCHOYQO-CCEZHUSRSA-N
XLogP2.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
CID 155632800
CID 155632800
carbonic acid;N,N-dimethyl-N'-octylethanimidamide
CID 173151477
2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
carbonic acid;N'-hexyl-N,N-dimethylethanimidamide
CID 173151515
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
methyl N-decylethanimidate
CID 51355250
1,1,3,3-tetramethyl-2-(5-methylhexyl)guanidine
CID 111813185
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622
2-[(N'-dodecylcarbamimidoyl)-methylamino]acetic acid
CID 87453757
2-[3-(diethylamino)propyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111025375

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine?
The IUPAC name of 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine (CID 159110043) is 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine.
What is the SMILES notation for 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine?
The canonical SMILES for 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine is CCCCCCC/N=C(\N(C)C)N(C)C[SiH](C)C.
What is the InChIKey of 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine?
The InChIKey is KEJKDXCPCHOYQO-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H33N3Si/c1-7-8-9-10-11-12-15-14(16(2)3)17(4)13-18(5)6/h18H,7-13H2,1-6H3/b15-14+.
What are the key properties of 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine?
1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine has a molecular weight of 271.52 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsilylmethyl)-2-heptyl-1,3,3-trimethylguanidine is sourced from PubChem (CID 159110043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).