N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine

C17H27NSi — CID 103438455

IUPACN-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
SMILESC[Si](C)(C)c1ccc(CN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C17H27NSi/c1-19(2,3)17-10-6-15(7-11-17)13-18(16-8-9-16)12-14-4-5-14/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3
InChIKeyBPCJKUCATHTZTF-UHFFFAOYSA-N
MW273.50 g/mol
LogP3.61
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine

N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine (PubChem CID 103438455) has the molecular formula C17H27NSi and a molecular weight of 273.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
PubChem CID103438455
Molecular FormulaC17H27NSi
Molecular Weight273.50 g/mol
Exact Mass273.19
IUPAC NameN-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine
SMILESC[Si](C)(C)c1ccc(CN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C17H27NSi/c1-19(2,3)17-10-6-15(7-11-17)13-18(16-8-9-16)12-14-4-5-14/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3
InChIKeyBPCJKUCATHTZTF-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine (CID 103438455) is N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine is C[Si](C)(C)c1ccc(CN(CC2CC2)C2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine?
The InChIKey is BPCJKUCATHTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NSi/c1-19(2,3)17-10-6-15(7-11-17)13-18(16-8-9-16)12-14-4-5-14/h6-7,10-11,14,16H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine?
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine has a molecular weight of 273.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 103438455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).