N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine

C26H37NSi — CID 11165257

IUPACN-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine
SMILESC#CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)N(CC#C)Cc1ccccc1
InChIInChI=1S/C26H37NSi/c1-9-11-17-26(18-20-28(22(3)4,23(5)6)24(7)8)27(19-10-2)21-25-15-13-12-14-16-25/h1-2,12-16,22-24,26H,11,17,19,21H2,3-8H3
InChIKeyIUQXTWUOXSXOQO-UHFFFAOYSA-N
MW391.68 g/mol
LogP6.13
Rot. Bonds9

About N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine

N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine (PubChem CID 11165257) has the molecular formula C26H37NSi and a molecular weight of 391.68 g/mol. Its IUPAC name is N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine.

Molecular Properties

Compound NameN-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine
PubChem CID11165257
Molecular FormulaC26H37NSi
Molecular Weight391.68 g/mol
Exact Mass391.27
IUPAC NameN-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine
SMILESC#CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)N(CC#C)Cc1ccccc1
InChIInChI=1S/C26H37NSi/c1-9-11-17-26(18-20-28(22(3)4,23(5)6)24(7)8)27(19-10-2)21-25-15-13-12-14-16-25/h1-2,12-16,22-24,26H,11,17,19,21H2,3-8H3
InChIKeyIUQXTWUOXSXOQO-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 56.13
H-Bond Donors ≤ 50
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

Pargyline
CID 4688
Pargyline Hydrochloride
CID 9373
Myristalkonium ion
CID 8756
Benzalkonium
CID 2330
Cetalkonium
CID 31203
Benzododecinium
CID 8754
Benzyltributylammonium chloride
CID 159952
Silanamine, N-(phenylmethyl)-N,1,1,1-tetramethyl-
CID 26949
Benzenemethanamine, N-(phenylmethyl)-N-2-propynyl-
CID 10963421
N,N-dimethyl-N-octadecylbenzylammonium
CID 31205
Benzenemethanaminium, N,N,N-tributyl-, bromide
CID 2724282
Benzyltributylammonium bromide
CID 124611

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine?
The IUPAC name of N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine (CID 11165257) is N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine.
What is the SMILES notation for N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine?
The canonical SMILES for N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine is C#CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)N(CC#C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine?
The InChIKey is IUQXTWUOXSXOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NSi/c1-9-11-17-26(18-20-28(22(3)4,23(5)6)24(7)8)27(19-10-2)21-25-15-13-12-14-16-25/h1-2,12-16,22-24,26H,11,17,19,21H2,3-8H3.
What are the key properties of N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine?
N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine has a molecular weight of 391.68 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-ynyl-1-tri(propan-2-yl)silylhepta-1,6-diyn-3-amine is sourced from PubChem (CID 11165257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).