6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine

C30H45NOSi — CID 91196178

IUPAC6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
SMILESCC(C)[Si](OCC(C)(C)C#CC=CCN[C@H](C)c1cccc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C30H45NOSi/c1-23(2)33(24(3)4,25(5)6)32-22-30(8,9)20-13-10-14-21-31-26(7)28-19-15-17-27-16-11-12-18-29(27)28/h10-12,14-19,23-26,31H,21-22H2,1-9H3/t26-/m1/s1
InChIKeyPHDJXNVNBKAGGV-AREMUKBSSA-N
MW463.78 g/mol
LogP8.27
Rot. Bonds10

About 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine

6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine (PubChem CID 91196178) has the molecular formula C30H45NOSi and a molecular weight of 463.78 g/mol. Its IUPAC name is 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine.

Molecular Properties

Compound Name6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
PubChem CID91196178
Molecular FormulaC30H45NOSi
Molecular Weight463.78 g/mol
Exact Mass463.33
IUPAC Name6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
SMILESCC(C)[Si](OCC(C)(C)C#CC=CCN[C@H](C)c1cccc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C30H45NOSi/c1-23(2)33(24(3)4,25(5)6)32-22-30(8,9)20-13-10-14-21-31-26(7)28-19-15-17-27-16-11-12-18-29(27)28/h10-12,14-19,23-26,31H,21-22H2,1-9H3/t26-/m1/s1
InChIKeyPHDJXNVNBKAGGV-AREMUKBSSA-N
XLogP8.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.78
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
N-[2,2-dimethyl-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]cyclohex-3-ene-1-carboxamide
CID 91408569
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
CID 25006403
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
CID 59562927
(Z)-N-[1-(1-benzothiophen-3-yl)ethyl]-6,6-dimethylhept-2-en-4-yn-1-amine;(E)-N-[1-(1-benzothiophen-3-yl)ethyl]-6,6-dimethylhept-2-en-4-yn-1-amine
CID 143626021
(E)-N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-6,6-dimethylhept-2-en-4-yn-1-amine
CID 25002514
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine?
The IUPAC name of 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine (CID 91196178) is 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine.
What is the SMILES notation for 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine?
The canonical SMILES for 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine is CC(C)[Si](OCC(C)(C)C#CC=CCN[C@H](C)c1cccc2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine?
The InChIKey is PHDJXNVNBKAGGV-AREMUKBSSA-N. The full InChI is InChI=1S/C30H45NOSi/c1-23(2)33(24(3)4,25(5)6)32-22-30(8,9)20-13-10-14-21-31-26(7)28-19-15-17-27-16-11-12-18-29(27)28/h10-12,14-19,23-26,31H,21-22H2,1-9H3/t26-/m1/s1.
What are the key properties of 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine?
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine has a molecular weight of 463.78 g/mol, XLogP of 8.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine is sourced from PubChem (CID 91196178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).