2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine

C12H27NSi — CID 106323978

IUPAC2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCCC)C[Si](C)(C)C
InChIInChI=1S/C12H27NSi/c1-7-9-13-10-12(3,8-2)11-14(4,5)6/h8,13H,2,7,9-11H2,1,3-6H3
InChIKeyRCKBMQYEBSTPSZ-UHFFFAOYSA-N
MW213.44 g/mol
LogP3.52
Rot. Bonds7

About 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine

2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine (PubChem CID 106323978) has the molecular formula C12H27NSi and a molecular weight of 213.44 g/mol. Its IUPAC name is 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine
PubChem CID106323978
Molecular FormulaC12H27NSi
Molecular Weight213.44 g/mol
Exact Mass213.19
IUPAC Name2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCCC)C[Si](C)(C)C
InChIInChI=1S/C12H27NSi/c1-7-9-13-10-12(3,8-2)11-14(4,5)6/h8,13H,2,7,9-11H2,1,3-6H3
InChIKeyRCKBMQYEBSTPSZ-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640914
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640807
2-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102859325
2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
2-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylbut-3-en-1-amine
CID 102640890
2-[(2-chloro-3-fluorophenyl)methyl]-2-methyl-N-propylbut-3-en-1-amine
CID 102640860
N-(trimethylsilylmethyl)propan-1-amine
CID 21138655
3,3-dimethyl-4-(propylamino)butanenitrile
CID 139517943

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine (CID 106323978) is 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine is C=CC(C)(CNCCC)C[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine?
The InChIKey is RCKBMQYEBSTPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NSi/c1-7-9-13-10-12(3,8-2)11-14(4,5)6/h8,13H,2,7,9-11H2,1,3-6H3.
What are the key properties of 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine?
2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine has a molecular weight of 213.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2-(trimethylsilylmethyl)but-3-en-1-amine is sourced from PubChem (CID 106323978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).