N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine

C26H46N2Si — CID 66634077

IUPACN-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine
SMILESC=CCN[Si](NCC=C)(C1CCCC2CCCCC21)C1CCCC2CCCCC21
InChIInChI=1S/C26H46N2Si/c1-3-19-27-29(28-20-4-2,25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26/h3-4,21-28H,1-2,5-20H2
InChIKeyJLHIGVHLGLTQPX-UHFFFAOYSA-N
MW414.75 g/mol
LogP6.70
Rot. Bonds8

About N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine

N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine (PubChem CID 66634077) has the molecular formula C26H46N2Si and a molecular weight of 414.75 g/mol. Its IUPAC name is N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine
PubChem CID66634077
Molecular FormulaC26H46N2Si
Molecular Weight414.75 g/mol
Exact Mass414.34
IUPAC NameN-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine
SMILESC=CCN[Si](NCC=C)(C1CCCC2CCCCC21)C1CCCC2CCCCC21
InChIInChI=1S/C26H46N2Si/c1-3-19-27-29(28-20-4-2,25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26/h3-4,21-28H,1-2,5-20H2
InChIKeyJLHIGVHLGLTQPX-UHFFFAOYSA-N
XLogP6.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine?
The IUPAC name of N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine (CID 66634077) is N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine.
What is the SMILES notation for N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine?
The canonical SMILES for N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine is C=CCN[Si](NCC=C)(C1CCCC2CCCCC21)C1CCCC2CCCCC21.
What is the InChIKey of N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine?
The InChIKey is JLHIGVHLGLTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2Si/c1-3-19-27-29(28-20-4-2,25-17-9-13-21-11-5-7-15-23(21)25)26-18-10-14-22-12-6-8-16-24(22)26/h3-4,21-28H,1-2,5-20H2.
What are the key properties of N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine?
N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine has a molecular weight of 414.75 g/mol, XLogP of 6.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-(prop-2-enylamino)silyl]prop-2-en-1-amine is sourced from PubChem (CID 66634077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).